input word = C00003740

Metabolite InformationStructural formula
Name Betulin
Formula C30H50O2
Mw 442.38108084
CAS RN 473-98-3
C_ID C00003740 ,
InChIKey FVWJYYTZTCVBKE-YYHFAXQKNA-N
InChICode InChI=1S/C30H50O2/c1-19(2)20-10-15-30(18-31)17-16-28(6)21(25(20)30)8-9-23-27(5)13-12-24(32)26(3,4)22(27)11-14-29(23,28)7/h20-25,31-32H,1,8-18H2,2-7H3/t20-,21+,22-,23+,24-,25+,27-,28+,29+,30+/m0/s1
SMILES C1[C@@H](C([C@H]2[C@](C1)([C@@H]1[C@@](CC2)([C@]2([C@H](CC1)[C@@H]1[C@@](CC2)(CC[C@H]1C(=C)C)CO)C)C)C)(C)C)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAcanthaceaeHypoestes purpurea Ref.
PlantaeAcanthaceaePhlogacanthus curviflorus Ref.
PlantaeAcanthaceaeStrobilanthes cusia Ref.
PlantaeAcanthaceaeStrobilanthes formosanus Ref.
PlantaeAdoxaceaeSambucus williamsii Ref.
PlantaeApocynaceaeNerium oleander Ref.
PlantaeApocynaceaeThevetia peruviana Ref.
PlantaeAsteraceaeCichorium intybus Ref.
PlantaeAsteraceaeSaussurea lappa Ref.
PlantaeBetulaceaeAlnus oregana Ref.
PlantaeBetulaceaeBetula alba Ref.
PlantaeBetulaceaeBetula platyphylla Ref.
PlantaeBetulaceaeCorylus avellana Ref.
PlantaeBoraginaceaeArnebia hispidissima Ref.
PlantaeBoraginaceaeArnebia nobilis Ref.
PlantaeCampanulaceae/LobeliaceaePlatycodon grandiflorum Ref.
PlantaeCelastraceaeMaytenus chiapensis Ref.
PlantaeCelastraceaeMaytenus cuzcoina Ref.
PlantaeCombretaceaeTerminalia brasiliensis Ref.
PlantaeEbenaceaeDiospyros abyssinica Ref.
PlantaeEbenaceaeDiospyros argentea Ref.
PlantaeEbenaceaeDiospyros bipindensis Ref.
PlantaeEbenaceaeDiospyros buxifolia Ref.
PlantaeEbenaceaeDiospyros canaliculata Ref.
PlantaeEbenaceaeDiospyros candalleana Ref.
PlantaeEbenaceaeDiospyros castanea Ref.
PlantaeEbenaceaeDiospyros cauliflora Ref.
PlantaeEbenaceaeDiospyros chevalieri Ref.
PlantaeEbenaceaeDiospyros chloroxylon Ref.
PlantaeEbenaceaeDiospyros cinnabarina Ref.
PlantaeEbenaceaeDiospyros consolatae Ref.
PlantaeEbenaceaeDiospyros crassiflora Ref.
PlantaeEbenaceaeDiospyros curranii Ref.
PlantaeEbenaceaeDiospyros dendo Ref.
PlantaeEbenaceaeDiospyros discolor Ref.
PlantaeEbenaceaeDiospyros ebenum Ref.
PlantaeEbenaceaeDiospyros elliptifolia Ref.
PlantaeEbenaceaeDiospyros embryopteris Ref.
PlantaeEbenaceaeDiospyros eriantha Ref.
PlantaeEbenaceaeDiospyros evena Ref.
PlantaeEbenaceaeDiospyros exsculpta Ref.
PlantaeEbenaceaeDiospyros fragrans Ref.
PlantaeEbenaceaeDiospyros gabunensis Ref.
PlantaeEbenaceaeDiospyros gracilescens Ref.
PlantaeEbenaceaeDiospyros guianensis Ref.
PlantaeEbenaceaeDiospyros hirsuta Ref.
PlantaeEbenaceaeDiospyros hoyleana Ref.
PlantaeEbenaceaeDiospyros ismailii Ref.
PlantaeEbenaceaeDiospyros iturensis Ref.
PlantaeEbenaceaeDiospyros kaki Ref.
PlantaeEbenaceaeDiospyros kaki var.sylvestris Ref.
PlantaeEbenaceaeDiospyros kamerunensis Ref.
PlantaeEbenaceaeDiospyros leucomelas Ref.
PlantaeEbenaceaeDiospyros longiflora Ref.
PlantaeEbenaceaeDiospyros lotus Ref.
PlantaeEbenaceaeDiospyros maingayi Ref.
PlantaeEbenaceaeDiospyros malanonilau Ref.
PlantaeEbenaceaeDiospyros mannii Ref.
PlantaeEbenaceaeDiospyros maritima Ref.
PlantaeEbenaceaeDiospyros melanoxylon Ref.
PlantaeEbenaceaeDiospyros mespiliformis Ref.
PlantaeEbenaceaeDiospyros monobuttensis Ref.
PlantaeEbenaceaeDiospyros montana Ref.
PlantaeEbenaceaeDiospyros moonii Ref.
PlantaeEbenaceaeDiospyros morrisiana Ref.
PlantaeEbenaceaeDiospyros obliquifolia Ref.
PlantaeEbenaceaeDiospyros peregrina Ref.
PlantaeEbenaceaeDiospyros pseudo-malabarica Ref.
PlantaeEbenaceaeDiospyros quaesita Ref.
PlantaeEbenaceaeDiospyros rhodocalyx Ref.
PlantaeEbenaceaeDiospyros sanza-minika Ref.
PlantaeEbenaceaeDiospyros siamang Ref.
PlantaeEbenaceaeDiospyros siamensis Ref.
PlantaeEbenaceaeDiospyros siderophylla Ref.
PlantaeEbenaceaeDiospyros singaporensis Ref.
PlantaeEbenaceaeDiospyros spinescens Ref.
PlantaeEbenaceaeDiospyros sumatrana Ref.
PlantaeEbenaceaeDiospyros sylvatica Ref.
PlantaeEbenaceaeDiospyros thwaitesii Ref.
PlantaeEbenaceaeDiospyros tomentosa Ref.
PlantaeEbenaceaeDiospyros verrucosa Ref.
PlantaeEbenaceaeDiospyros virginiana Ref.
PlantaeEbenaceaeDiospyros walkeri Ref.
PlantaeEbenaceaeDiospyros wallichii Ref.
PlantaeEbenaceaeDiospyros zenkeri Ref.
PlantaeEbenaceaeEuclea divinorum Ref.
PlantaeEbenaceaeEuclea natalensis Ref.
PlantaeEricaceaeErica arborea L. Ref.
PlantaeEuphorbiaceaeEuphorbia lathyris Ref.
PlantaeEuphorbiaceaeEuphorbia paralias Ref.
PlantaeFabaceaeAcacia mellifera Ref.
PlantaeFabaceaeCassia siamea Lamk. Ref.
PlantaeFabaceaeDalbergia sericea Ref.
PlantaeFabaceaeLespedeza bicolor Ref.
PlantaeFabaceaePterocarpus santalinus Ref.
PlantaeFabaceaeVicia faba Ref.
PlantaeJuglandaceaeJuglans regia Ref.
PlantaeLabiataeOriganum compactum Ref.
PlantaeLabiataeRosmarinus officinalis L. Ref.
PlantaeLabiataeSalvia officinalis Ref.
PlantaeLardizabalaceaeStauntonia obovatifoliola Hayata subsp.intermedia Ref.
PlantaeLythraceaeLawsonia alba Ref.
PlantaeMalpighiaceaeByrsonima microphylla Ref.
PlantaeMyrtaceaeMelaleuca ericifolia Ref.
PlantaeMyrtaceaeSyzygium formosanum Ref.
PlantaeOleaceaeJasminum lanceolarium Ref.
PlantaeOleaceaePhillyrea latifolia L. Ref.
PlantaePelliaceaePellia epiphylla Ref.
PlantaePhyllanthaceaePhyllanthus flexuosus Ref.
PlantaePhyllanthaceaePhyllanthus urinaria Ref.
PlantaeRhamnaceaeZiziphus jujuba Ref.
PlantaeRhamnaceaeZizyphus vulgaris var.spinosus Ref.
PlantaeRhizophoraceaeCeriops tagal Ref.
PlantaeRosaceaeChaenomeles sinensis KOEHNE Ref.
PlantaeRubiaceaeCoussarea paniculata Ref.
PlantaeSapindaceaeSchleichera oleosa Ref.
PlantaeTrochodendraceae/TetracentraceaeTetracentron sinense Ref.
PlantaeUlmaceaeCeltis philippinensis Ref.
PlantaeValerianaceae/Linnaeaceae/Dipsacaceae/DiervillaceaeValeriana laxiflora Ref.
--Asteracantha longifolia Ref.
--Befaria glutinosa Ref.
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OrganismChaenomeles sinensis KOEHNE
ReferenceGao,Chem.Pharm.Bull.,51,(2003),1318