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 C1[C@H]2[C@@]([C@H]3[C@](C1)(C1=C(C3)C(=O)C(=CC1=O)C)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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