input word = C00049176

Metabolite InformationStructural formula
Name Herbarulide
(+)-Herbarulide
Formula C28H40O3
Mw 424.29774514
CAS RN 223591-54-6
C_ID C00049176 ,
InChIKey ZBDCBYOOVMXUHB-FUXLRIGBNA-N
InChICode InChI=1S/C28H40O3/c1-17(2)18(3)7-8-19(4)22-9-10-23-21-16-26(30)31-25-15-20(29)11-13-28(25,6)24(21)12-14-27(22,23)5/h7-8,15-19,22-24H,9-14H2,1-6H3/b8-7+/t18-,19+,22-,23+,24+,27-,28-/m1/s1
SMILES [C@@]12(C(=CC(=O)CC2)OC(=O)C=C2[C@@H]1CC[C@]1([C@H]2CC[C@@H]1[C@@H](C)/C=C/[C@H](C(C)C)C)C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
FungiPleosporaceaePleospora herbarum Ref.
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OrganismPleospora herbarum
ReferenceKrohn,J.Nat.Prod.,62,(1999),629