input word = C00029633

Metabolite InformationStructural formula
Name Acetylursolic acid
Ursolic acid
Ursolic acid acetate
Formula C32H50O4
Mw 498.37091008
CAS RN 7372-30-7
C_ID C00029633 ,
InChIKey PHFUCJXOLZAQNH-GTFLZTGMNA-N
InChICode InChI=1S/C32H50O4/c1-19-11-16-32(27(34)35)18-17-30(7)22(26(32)20(19)2)9-10-24-29(6)14-13-25(36-21(3)33)28(4,5)23(29)12-15-31(24,30)8/h9,19-20,23-26H,10-18H2,1-8H3,(H,34,35)/t19-,20+,23+,24-,25+,26+,29+,30-,31-,32+/m1/s1
SMILES C1[C@@H](C([C@H]2[C@](C1)([C@@H]1[C@@](CC2)([C@]2(C(=CC1)[C@H]1[C@@](CC2)(CC[C@H]([C@@H]1C)C)C(=O)O)C)C)C)(C)C)OC(=O)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAdoxaceaeViburnum lantana L. Ref.
PlantaeAmaranthaceaeAchyranthes aspera Ref.
PlantaeAnacardiaceaeMangifera indica Ref.
PlantaeApiaceaeHeracleum granatense Ref.
PlantaeApocynaceaeCatharanthus roseus Ref.
PlantaeApocynaceaeNerium oleander Ref.
PlantaeApocynaceaePlumeria obtusa Ref.
PlantaeAquifoliaceaeIlex asprella Ref.
PlantaeAquifoliaceaeIlex cornuta Ref.
PlantaeAquifoliaceaeIlex integra Ref.
PlantaeAquifoliaceaeIlex pubescens Ref.
PlantaeAraliaceaeAcanthopanax senticosus Ref.
PlantaeAraliaceaeAcanthopanax sessiliflorus Ref.
PlantaeAraliaceaeCentella asiatica Ref.
PlantaeAraliaceaeCussonia bancoensis Ref.
PlantaeAsteraceaeAchyrocline bogotensis (HBK.) DC. Ref.
PlantaeAsteraceaeLigularia sagitta Ref.
PlantaeCalophyllaceae/Clusiaceae/Clusiaceae-GuttiferaeCalophyllum polyanthum Ref.
PlantaeCecropiaceaeMyrianthus arboreus Ref.
PlantaeCelastraceaeMicrotropis japonica Ref.
PlantaeCombretaceaeTerminalia fagifolia Ref.
PlantaeConvallariaceaeLiriope muscari Ref.
PlantaeCornaceaeCamptotheca acuminata Ref.
PlantaeCornaceae/Aucubaceae/Garryaceae/HelwingiaceaeCornus kousa Ref.
PlantaeCornaceae/Aucubaceae/Garryaceae/HelwingiaceaeCornus officinalis Ref.
PlantaeCruciferaeIsatis tinctoria Ref.
PlantaeCynomoriaceaeCynomorium songaricum Ref.
PlantaeDipterocarpaceaeVatica cinerea Ref.
PlantaeEbenaceaeDiospyros castanea Ref.
PlantaeEbenaceaeDiospyros cauliflora Ref.
PlantaeEbenaceaeDiospyros curranii Ref.
PlantaeEbenaceaeDiospyros ebenum Ref.
PlantaeEbenaceaeDiospyros evena Ref.
PlantaeEbenaceaeDiospyros ferrea Ref.
PlantaeEbenaceaeDiospyros hirsuta Ref.
PlantaeEbenaceaeDiospyros kaki Ref.
PlantaeEbenaceaeDiospyros leucomelas Ref.
PlantaeEbenaceaeDiospyros lotus Ref.
PlantaeEbenaceaeDiospyros malanonilau Ref.
PlantaeEbenaceaeDiospyros melanoxylon Ref.
PlantaeEbenaceaeDiospyros montana Ref.
PlantaeEbenaceaeDiospyros morrisiana Ref.
PlantaeEbenaceaeDiospyros quaesita Ref.
PlantaeEbenaceaeDiospyros tomentosa Ref.
PlantaeEricaceaeArbutus andrachne L. Ref.
PlantaeEricaceaeEnkianthus cernuus Ref.
PlantaeEricaceaeEpigaea asiatica Ref.
PlantaeEricaceaeLeucothoe grayana Max. Ref.
PlantaeEricaceaePieris japonica D.Don. Ref.
PlantaeEricaceaePyrola incarnata Ref.
PlantaeEricaceaePyrola japonica Ref.
PlantaeEricaceaePyrola rugosa Ref.
PlantaeEricaceaeRhododendron hymenanthus Ref.
PlantaeEucommiaceaeEucommia ulmoides Ref.
PlantaeEuphorbiaceaeEuphorbia paralias Ref.
PlantaeFabaceaeIndigofera tetrantha Ref.
PlantaeGentianaceaeGentianopsis paludosa Ref.
PlantaeHydrangeaceaeHydrangea heteromalla Ref.
PlantaeIcacinaceaeGonocaryum calleryanum Ref.
PlantaeJuglandaceaePlatycarya strobilacea Ref.
PlantaeLabiataeCallicarpa arborea Ref.
PlantaeLabiataeCallicarpa formosana Ref.
PlantaeLabiataeCallicarpa macrophylla Ref.
PlantaeLabiataeDracocephalum kotschyi Ref.
PlantaeLabiataeGlechoma lungituba Ref.
PlantaeLabiataeHyptis brevipes Ref.
PlantaeLabiataeIsodon oresbia Ref.
PlantaeLabiataeIsodon ternifolius Ref.
PlantaeLabiataeLavandula canariensis Ref.
PlantaeLabiataeLavandula gibsonii Ref.
PlantaeLabiataeMeriandra benghalensis Ref.
PlantaeLabiataeOcimum basilicum Ref.
PlantaeLabiataeOriganum dubium Ref.
PlantaeLabiataeOriganum vulgare Ref.
PlantaeLabiataeOrthosiphon stamineus Ref.
PlantaeLabiataePerilla frutescens Ref.
PlantaeLabiataeProstanthera melissifolia Ref.
PlantaeLabiataePrunella vulgaris Ref.
PlantaeLabiataeRosmarinus officinalis Ref.
PlantaeLabiataeSalvia breviflora Ref.
PlantaeLabiataeSalvia canariensis L. Ref.
PlantaeLabiataeSalvia chinopeplica Ref.
PlantaeLabiataeSalvia miltiorrhiza Ref.
PlantaeLabiataeSalvia nicolsoniana Ref.
PlantaeLabiataeSalvia officinalis Ref.
PlantaeLabiataeSalvia virgata Ref.
PlantaeLabiataeSatureja acinos Ref.
PlantaeLabiataeSatureja calamintha Ref.
PlantaeLabiataeSideritis candicans var.eriocephala Ref.
PlantaeLabiataeSideritis discolor Ref.
PlantaeLabiataeSideritis soluta Ref.
PlantaeLabiataeThymus pubescens Ref.
PlantaeLamiaceaeColeus aromaticus Ref.
PlantaeLamiaceaeRabdosia rubescens Ref.
PlantaeLonganiaceaeStrychnos vanprukii Craib. Ref.
PlantaeLythraceaeLawsonia inermis Ref.
PlantaeLythraceaePunica granatum Ref.
PlantaeMalpighiaceaeAcridocarpus vivy Ref.
PlantaeMelastomataceaeMonochaetum vulcanicum Ref.
PlantaeMoraceaeFicus microcarpa Ref.
PlantaeMoraceaeMorus australis Ref.
PlantaeMyricaceaeMyrica rubra Ref.
PlantaeMyrtaceaeEucalyptus citriodora Ref.
PlantaeMyrtaceaeEucalyptus tereticornis Ref.
PlantaeMyrtaceaeLeptospermum scoparium Ref.
PlantaeMyrtaceaeMelaleuca ericifolia Ref.
PlantaeMyrtaceaeMelaleuca leucadendron Ref.
PlantaeMyrtaceaePsidium guajava Ref.
PlantaeMyrtaceaeSyzygium buxifolium Ref.
PlantaeMyrtaceaeSyzygium formosanum Ref.
PlantaeOleaceaeForsythia suspensa Ref.
PlantaeOleaceaeLigustrum lucidum Ref.
PlantaeOleaceaePhillyrea latifolia L. Ref.
PlantaeOnagraceaeLudwigia octovalvis Ref.
PlantaePaulowniaceaePaulownia tomentosa Ref.
PlantaePinaceaePinus roxburghii Ref.
PlantaePlantaginaceaePlantago asiatica Ref.
PlantaePlantaginaceaePlantago depressa Ref.
PlantaePlantaginaceaePlantago major Ref.
PlantaePolygonaceaeCoccoloba excoriata Ref.
PlantaeRhamnaceaeZiziphus jujuba Ref.
PlantaeRhamnaceaeZiziphus jujuba var.spinosa Ref.
PlantaeRosaceaeChaenomeles sinensis Ref.
PlantaeRosaceaeCrataegus cuneata Ref.
PlantaeRosaceaeCrataegus hupehensis Ref.
PlantaeRosaceaeCrataegus pinnatifida Ref.
PlantaeRosaceaeCrataegus pinnatifida var.major Ref.
PlantaeRosaceaeEriobotrya japonica Ref.
PlantaeRosaceaePhotinia serrulata Ref.
PlantaeRosaceaePotentilla chinensis Ref.
PlantaeRosaceaePrunus avium Ref.
PlantaeRosaceaePrunus serotina Ref.
PlantaeRosaceaeRosa multiflora Ref.
PlantaeRosaceaeRubus ellipticus Ref.
PlantaeRubiaceaeCoussarea paniculata Ref.
PlantaeRubiaceaeGardenia jasminoides Ref.
PlantaeRubiaceaeHedyotis dichotoma Ref.
PlantaeRubiaceaeHedyotis herbacea Ref.
PlantaeRubiaceaeLasianthus gardneri Ref.
PlantaeRubiaceaeMitragyna speciosa Ref.
PlantaeRubiaceaeMitragyna stipulosa Ref.
PlantaeRubiaceaeMorinda citrifolia Ref.
PlantaeRubiaceaeMorinda officinalis Ref.
PlantaeRubiaceaeMorinda tinctoria var.tomentosa. Ref.
PlantaeRubiaceaeOldenlandia diffusa Ref.
PlantaeRubiaceaeOphiorrhiza liukiuensis Ref.
PlantaeRubiaceaeRubia wallichiana Ref.
PlantaeRubiaceaeUncaria tomentosa Ref.
PlantaeRutaceaePhellodendron amurense Ref.
PlantaeValerianaceae/Linnaeaceae/Dipsacaceae/DiervillaceaeValeriana laxiflora Ref.
PlantaeVerbenaceaeVerbena littoralis Ref.
PlantaeVerbenaceaeVerbena officinalis Ref.
--Aganosma caryophyllata Ref.
--Clerodendranthus spicatus Ref.
--Hex aquifolium Ref.
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OrganismOrthosiphon stamineus
Referencehttps://doi.org/10.1248/cpb.48.1711