input word = C00049221

Metabolite InformationStructural formula
Name Malayenolide C
(+)-Malayenolide C
Formula C27H36O6
Mw 456.25118888
CAS RN 225662-11-3
C_ID C00049221 ,
InChIKey PMDGLGKJUXVHAB-XOBGHDAQNA-N
InChICode InChI=1S/C27H36O6/c1-15(2)12-25(29)33-24-10-8-16(3)13-22-20(18(5)26(30)32-22)14-21-17(4)9-11-23(27(21,24)7)31-19(6)28/h9,12-13,21-24H,8,10-11,14H2,1-7H3/b16-13-/t21-,22-,23-,24-,27+/m0/s1
SMILES C\1=C(\CC[C@@H]([C@@]2([C@@H](CC3=C(C(=O)O[C@@H]13)C)C(=CC[C@@H]2OC(=O)C)C)C)OC(=O)C=C(C)C)/C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
--Veretillum malayense Ref.
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OrganismVeretillum malayense
ReferenceFu,J.Nat.Prod.,62,(1999),584