input word = C00049395

Metabolite InformationStructural formula
Name Roridin E acetate
(+)-Roridin E acetate
Formula C31H40O9
Mw 556.26723288
CAS RN 32656-18-1
C_ID C00049395 ,
InChIKey UMMRHXXIVGSHOW-XYDZEXGKNA-N
InChICode InChI=1S/C31H40O9/c1-19-10-12-30-17-36-28(34)15-20(2)11-13-35-23(21(3)38-22(4)32)8-6-7-9-27(33)40-24-16-26(39-25(30)14-19)31(18-37-31)29(24,30)5/h6-9,14-15,21,23-26H,10-13,16-18H2,1-5H3/b8-6+,9-7-,20-15+/t21-,23-,24-,25-,26-,29-,30-,31+/m1/s1
SMILES [C@@H]12C[C@H]3OC(=O)/C=C\C=C\[C@@H](OCC/C(=C/C(=O)OC[C@@]4([C@@]3([C@@]31CO3)C)[C@H](O2)C=C(CC4)C)/C)[C@H](OC(=O)C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
FungiIncertae sedisMyrothecium verrucaria Ref.
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OrganismMyrothecium verrucaria
ReferenceIsaka,J.Nat.Prod.,62,(1999),329