input word = C00036754

Metabolite InformationStructural formula
Name Argentatin B
Formula C30H48O3
Mw 456.3603454
CAS RN 31300-41-1
C_ID C00036754 ,
InChIKey KCYOWUNRFWIOTH-RYFQLMGSNA-N
InChICode InChI=1S/C30H48O3/c1-18-8-11-23(26(4,5)32)33-19-16-28(7)21-10-9-20-25(2,3)22(31)12-13-29(20)17-30(21,29)15-14-27(28,6)24(18)19/h18-21,23-24,32H,8-17H2,1-7H3/t18-,19+,20+,21+,23-,24+,27-,28+,29-,30+/m1/s1
SMILES C[C@@H]1CC[C@H](C(C)(C)O)O[C@H]2C[C@@]3(C)[C@@H]4CC[C@H]5C(C)(C)C(=O)CC[C@@]56C[C@@]46CC[C@]3(C)[C@@H]12
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeParthenium argentatum Gray Ref.
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OrganismParthenium argentatum Gray
ReferenceMaatooq,Phytochem.,60,(2002),755