input word = C00012615

Metabolite InformationStructural formula
Name Roridin D
7'-Deoxo-2'-deoxy-2',3'-epoxy-7'-(1-hydroxyethyl)verrucarin A
Formula C29H38O9
Mw 530.25158281
CAS RN 14682-29-2
C_ID C00012615 ,
InChIKey XZWOQFZHIMDODQ-KQQUZDAGNA-N
InChICode InChI=1S/C29H38O9/c1-17-9-10-28-15-34-25(32)24-26(3,38-24)11-12-33-19(18(2)30)7-5-6-8-23(31)37-20-14-22(36-21(28)13-17)29(16-35-29)27(20,28)4/h5-8,13,18-22,24,30H,9-12,14-16H2,1-4H3/b7-5+,8-6+/t18-,19+,20+,21-,22-,24+,26-,27-,28+,29+/m0/s1
SMILES C\1=C/C=C/C(=O)O[C@H]2[C@]3([C@]4(COC(=O)[C@@H]5[C@@](CCO[C@H]1[C@H](C)O)(C)O5)[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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OrganismStachybotrys chartarum
ReferenceBruce,Phytochem.,64,(2003),53