input word = C00032512

Metabolite InformationStructural formula
Name Withanolide
Formula C28H46O2
Mw 414.34978071
CAS RN 40326-62-3
C_ID C00032512 ,
InChIKey JAVFSUSPBIUPLW-OLKJONPBNA-N
InChICode InChI=1S/C28H46O2/c1-17-16-25(30-26(29)18(17)2)19(3)22-11-12-23-21-10-9-20-8-6-7-14-27(20,4)24(21)13-15-28(22,23)5/h17-25H,6-16H2,1-5H3/t17-,18+,19+,20-,21-,22-,23+,24+,25-,27+,28+/m1/s1
SMILES C1CC[C@H]2[C@](C1)([C@@H]1[C@H](CC2)[C@H]2[C@@](CC1)([C@H](CC2)[C@@H]([C@@H]1OC(=O)[C@H]([C@@H](C1)C)C)C)C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeElephantopus scaber Ref.
PlantaeSolanaceaeDiscopodium penninervium Ref.
PlantaeSolanaceaePhysalis angulata L. Ref.
--Dunalia australis Ref.
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