input word = C00003558

Metabolite InformationStructural formula
Name Ursolic acid
Formula C30H48O3
Mw 456.3603454
CAS RN 77-52-1
C_ID C00003558 ,
InChIKey WCGUUGGRBIKTOS-PUNATPRWNA-N
InChICode InChI=1S/C30H48O3/c1-18-10-15-30(25(32)33)17-16-28(6)20(24(30)19(18)2)8-9-22-27(5)13-12-23(31)26(3,4)21(27)11-14-29(22,28)7/h8,18-19,21-24,31H,9-17H2,1-7H3,(H,32,33)/t18-,19+,21+,22-,23+,24+,27+,28-,29-,30+/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)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeApocynaceaeNerium oleander Ref.
PlantaeAsteraceaeInula cappa Ref.
PlantaeAsteraceaePetasites tricholobus Ref.
PlantaeBoraginaceaeEhretia buxifolia Ref.
PlantaeDryopteridaceaeDryopteris crassirhizoma Ref.
PlantaeEricaceaeArctostaphylos uva-ursi Ref.
PlantaeEricaceaeVaccinium macrocarpon Ref.
PlantaeGesneriaceaeConandron ramondioides Sieb.et Zucc. Ref.
PlantaeLabiataeDracocephalum kotschyi Ref.
PlantaeLabiataeMarsypianthes chamaedrys Ref.
PlantaeLabiataeOrthosiphon stamineus Ref.
PlantaeLabiataePerilla frutescens (L.) Britton var.japonica Hara Ref.
PlantaeLabiataePrunella vulgaris Ref.
PlantaeLabiataeSalvia amplexicaulis Lam. Ref.
PlantaeLabiataeSalvia syriaca L. Ref.
PlantaeLabiataeScutellaria strigillosa Ref.
PlantaeLabiataeThymus vulgaris Ref.
PlantaeLamiaceaeRabdosia amethystoides Ref.
PlantaeLythraceaePunica granatum LINN. Ref.
PlantaeMoraceaeFicus microcarpa Ref.
PlantaeMoraceaeMorus insignis Ref.
PlantaeMyricaceaeMyrica rubra Ref.
PlantaeMyrtaceaeEucalyptus camaldulensis var.obtusa Ref.
PlantaeMyrtaceaeEucalyptus cladocalyx Ref.
PlantaeNothofagaceae/FagaceaeNothofagus pumilio Ref.
PlantaeOleaceaeOlea europaea Ref.
PlantaeRosaceaeChaenomeles japonica Ref.
PlantaeRosaceaeCotoneaster simonsii Ref.
PlantaeRosaceaeMalus doumeri varl formosana Ref.
PlantaeRosaceaeMalus spp. Ref.
PlantaeRosaceaePrunus avium Ref.
PlantaeRosaceaePyrus spp. Ref.
PlantaeRubiaceaeChiococca alba Ref.
PlantaeRubiaceaeMorinda citrifolia L. Ref.
PlantaeRubiaceaeOldenlandia diffusa Ref.
PlantaeRubiaceaeOphiorrhiza liukiuensis Ref.
PlantaeRubiaceaePalicourea coriacea Ref.
PlantaeRubiaceaeRubia wallichiana DECNE Ref.
PlantaeSolanaceaeCyphanthera spinescens Ref.
PlantaeStilbaceaeNuxia sphaerocephala Ref.
PlantaeUlmaceaeCeltis philippinensis Ref.
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OrganismThymus vulgaris
ReferenceMors,Phytochem.,55,(2000),627