input word = C00039733

Metabolite InformationStructural formula
Name Manoalide monoacetate
Formula C28H40O5
Mw 456.28757439
CAS RN 223249-25-0
C_ID C00039733 ,
InChIKey YFPJKEBHMGIVPZ-PDCTZFRFNA-N
InChICode InChI=1S/C28H40O5/c1-18(11-14-24-19(2)9-7-15-28(24,4)5)8-6-10-21-12-13-22(16-25(21)30)23-17-26(31)33-27(23)32-20(3)29/h8,12,17,22,25,27,30H,6-7,9-11,13-16H2,1-5H3/b18-8+/t22-,25+,27+/m1/s1
SMILES C1(=CC[C@H](C[C@@H]1O)C1=CC(=O)O[C@@H]1OC(=O)C)CC/C=C(/CCC1=C(CCCC1(C)C)C)\C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
--Luffariella variabilis Ref.
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OrganismLuffariella variabilis
ReferenceEttinger-Epstein,J.Nat.Prod.,70,(2007),648