input word = C00012671

Metabolite InformationStructural formula
Name Verrucarin B
(2'S,3'R)-2'-Deoxy-2',3'-epoxyverrucarin A
Formula C27H32O9
Mw 500.20463262
CAS RN 2290-11-1
C_ID C00012671 ,
InChIKey WUZWNHCQLPXCLS-YDFGWWAZNA-N
InChICode InChI=1S/C27H32O9/c1-16-8-9-26-14-32-23(30)22-24(2,36-22)10-11-31-20(28)6-4-5-7-21(29)35-17-13-19(34-18(26)12-16)27(15-33-27)25(17,26)3/h4-7,12,17-19,22H,8-11,13-15H2,1-3H3/b6-4+,7-5+/t17-,18+,19+,22-,24-,25+,26+,27+/m1/s1
SMILES [C@@H]12C=C(CC[C@]32[C@]2([C@@]4([C@@H](O1)C[C@H]2OC(=O)/C=C/C=C/C(=O)OCC[C@@]1([C@@H](C(=O)OC3)O1)C)CO4)C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
FungiIncertae sedisMyrothecium roridum Ref.
FungiIncertae sedisMyrothecium verrucaria Ref.
--Stachybotrys chartarum Ref.
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