input word = C00064399

Metabolite InformationStructural formula
Name Guggulsterol Y
Formula C27H46O4
Mw 434.33960996
CAS RN 548773-83-7
C_ID C00064399
InChIKey KQTBMRBMNBEPAZ-MUACKCICSA-N
InChICode InChI=1S/C27H46O4/c1-24(2,30)11-6-12-27(5,31)23-22(29)16-21-19-8-7-17-15-18(28)9-13-25(17,3)20(19)10-14-26(21,23)4/h7,18-23,28-31H,6,8-16H2,1-5H3/t18-,19+,20-,21-,22-,23-,25-,26-,27-/m0/s1
SMILES CC(C)(O)CCCC(C)(O)C1C(O)CC2C3CC=C4CC(O)CCC4(C)C3CCC21C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeBurseraceaeCommiphora mukul Ref.
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OrganismCommiphora mukul
ReferenceSingh, B and Sharma, R. V., Secondary Metabolites of Medicinal Plants, Vol. 1, (2020), Wiley-VCH Verlag GmbH and Co. KGaA.