input word = C00042513

Metabolite InformationStructural formula
Name Flabellinone
(+)-Flabellinone
Formula C27H38O3
Mw 410.28209508
CAS RN 863548-86-1
C_ID C00042513 ,
InChIKey CCDPFNRYKYEVHN-MOEICMPLNA-N
InChICode InChI=1S/C27H38O3/c1-15-13-17(28)22-16(23(15)30)14-20-26(5)10-7-18-24(2,3)21(29)9-12-25(18,4)19(26)8-11-27(20,22)6/h13,18-21,29H,7-12,14H2,1-6H3/t18-,19+,20-,21-,25+,26-,27-/m0/s1
SMILES CC1=CC(=O)C2=C(C[C@H]3[C@@]4(C)CC[C@H]5C(C)(C)[C@@H](O)CC[C@@]5(C)[C@H]4CC[C@]23C)C1=O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
ChromalveolataDictyotaceaeStypopodium flabelliforme Ref.
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