input word = C00012619

Metabolite InformationStructural formula
Name Roridine E
[2'E,7'R(R)]-2',3'-Didehydro-7'-deoxo-2'-deoxy-7'-(1-hydroxyethyl)-verrucarin A
Formula C29H38O8
Mw 514.25666819
CAS RN 16891-85-3
C_ID C00012619 ,
InChIKey KEEQQEKLEZRLDS-NYTZSOMNNA-N
InChICode InChI=1S/C29H38O8/c1-18-9-11-28-16-34-26(32)14-19(2)10-12-33-21(20(3)30)7-5-6-8-25(31)37-22-15-24(36-23(28)13-18)29(17-35-29)27(22,28)4/h5-8,13-14,20-24,30H,9-12,15-17H2,1-4H3/b7-5+,8-6-,19-14+/t20-,21-,22-,23-,24?,27-,28-,29+/m1/s1
SMILES C\1=C/C=C\C(=O)O[C@H]2[C@@]3([C@]4(COC(=O)/C=C(/CCO[C@H]1[C@@H](C)O)\C)[C@H](O[C@@H]([C@]13CO1)C2)C=C(CC4)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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OrganismMyrothecium roridum
ReferenceBohner, Helv.Chim.Acta,48,(1965),1079