input word = C00003750

Metabolite InformationStructural formula
Name Lupeol acetate
Formula C32H52O2
Mw 468.3967309
CAS RN 1617-68-1
C_ID C00003750 ,
InChIKey ODSSDTBFHAYYMD-VVNOKGCGNA-N
InChICode InChI=1S/C32H52O2/c1-20(2)22-12-15-29(6)18-19-31(8)23(27(22)29)10-11-25-30(7)16-14-26(34-21(3)33)28(4,5)24(30)13-17-32(25,31)9/h22-27H,1,10-19H2,2-9H3/t22-,23+,24-,25+,26-,27+,29+,30-,31+,32?/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)(C)CC[C@H]1C(=C)C)C)C)C)(C)C)OC(=O)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeApiaceaeAngelica archangelica Ref.
PlantaeApocynaceaeAlstonia scholaris Ref.
PlantaeApocynaceaeHimatanthus sucuuba Ref.
PlantaeApocynaceaeThevetia neriifolia Ref.
PlantaeAsteraceaeElephantopus scaber Ref.
PlantaeAsteraceaeEupatorium macrocephalum Lee. Ref.
PlantaeAsteraceaeScorzonera cretica Ref.
PlantaeBoraginaceaeCordia buddleioides Ref.
PlantaeEuphorbiaceaeEuphorbia larica Ref.
PlantaeFabaceaeCaesalpinia pulcherrima Ref.
PlantaeGrossulariaceaeRibes fasciculatum var.chinense Ref.
PlantaeLabiataeCallicarpa arborea Ref.
PlantaeMalvaceaeAdansonia digitata Ref.
PlantaeMoringaceaeMoringa oleifera Ref.
PlantaeMoringaceaeMoringa peregrina Ref.
PlantaeMoringaceaeMoringa peregrine Ref.
PlantaeMoringaceaeMoringa stenopetala Ref.
PlantaePalmaePhoenix dactylifera Ref.
PlantaePlumbaginaceaePlumbago zeylanica Ref.
PlantaePolygonaceaeCoccoloba excoriata Ref.
PlantaeSapindaceaeSchleichera oleosa Ref.
--Magnifera indica Ref.
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OrganismMoringa oleifera
ReferenceSingh, B and Sharma, R. V., Secondary Metabolites of Medicinal Plants, Vol. 2, (2020), Wiley-VCH Verlag GmbH and Co. KGaA.