input word = C00032353

Metabolite InformationStructural formula
Name Thunbergol A
Formula C27H38O5
Mw 442.27192432
CAS RN 929285-30-3
C_ID C00032353 ,
InChIKey PLMGIRQPZPSYEQ-LADKKCNBNA-N
InChICode InChI=1S/C27H38O5/c1-18(2)9-6-12-21(26(30)31)13-7-10-19(3)11-8-14-27(5)24(29)17-22-16-23(28)15-20(4)25(22)32-27/h9,11,13,15-16,24,28-29H,6-8,10,12,14,17H2,1-5H3,(H,30,31)/b19-11+,21-13-/t24-,27+/m1/s1
SMILES c1c(cc2c(c1C)O[C@]([C@@H](C2)O)(CC/C=C(/CC/C=C(\C(=O)O)/CCC=C(C)C)\C)C)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
ChromalveolataSargassaceaeSargassum thunbergii Ref.
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