input word = C00012672

Metabolite InformationStructural formula
Name Verrucarin J
Muconomycin B
Formula C27H32O8
Mw 484.209718
CAS RN 4643-58-7
C_ID C00012672 ,
InChIKey GXCGYHWSYNQVHU-QYJYGIDANA-N
InChICode InChI=1S/C27H32O8/c1-17-8-10-26-15-32-24(30)13-18(2)9-11-31-22(28)6-4-5-7-23(29)35-19-14-21(34-20(26)12-17)27(16-33-27)25(19,26)3/h4-7,12-13,19-21H,8-11,14-16H2,1-3H3/b6-4+,7-5-,18-13+/t19-,20-,21?,25-,26-,27+/m1/s1
SMILES CC1=C[C@H]2O[C@@H]3C[C@H]4OC(=O)/C=C\C=C\C(=O)OCC/C(C)=C/C(=O)OC[C@@]2(CC1)[C@]4(C)[C@]31CO1
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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OrganismStachybotrys chartarum
ReferenceBruce,Phytochem.,64,(2003),53