input word = C00042512

Metabolite InformationStructural formula
Name Flabellinol
(+)-Flabellinol
Formula C28H42O3
Mw 426.31339521
CAS RN 863548-85-0
C_ID C00042512 ,
InChIKey PCJLFCANHKSKCL-YQGPNRCNNA-N
InChICode InChI=1S/C28H42O3/c1-16-14-18(29)23-17(24(16)31-7)15-21-27(5)11-8-19-25(2,3)22(30)10-13-26(19,4)20(27)9-12-28(21,23)6/h14,19-22,29-30H,8-13,15H2,1-7H3/t19-,20+,21-,22-,26+,27-,28-/m0/s1
SMILES C1[C@H]2[C@@]([C@H]3[C@](C1)(c1c(C3)c(c(cc1O)C)OC)C)(CC[C@@H]1[C@]2(CC[C@@H](C1(C)C)O)C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
ChromalveolataDictyotaceaeStypopodium flabelliforme Ref.
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OrganismStypopodium flabelliforme
ReferenceSabry,J.Nat.Prod.,68,(2005),1022