input word = C00012681

Metabolite InformationStructural formula
Name Roritoxin C
7',8'-Didehydro-14'-deoxy-2',3':9,10-diepoxy-2',3',9,10-tetrahydro-14'-oxovertisporin
Formula C29H32O12
Mw 572.18937649
CAS RN 102852-50-6
C_ID C00012681 ,
InChIKey LANVEQVSXWXQLN-GGWOSOGENA-N
InChICode InChI=1S/C29H32O12/c1-24-7-8-26-12-34-22(33)20-28(41-20)9-10-35-27(17(31)21(32)39-23(27)28)6-4-3-5-16(30)37-14-11-15(38-19(26)18(24)40-24)29(13-36-29)25(14,26)2/h3-6,14-15,17-20,23,31H,7-13H2,1-2H3/b5-3+,6-4+/t14-,15-,17+,18-,19+,20-,23-,24-,25+,26+,27?,28-,29-/m1/s1
SMILES [C@]12([C@@H]3O[C@H]4[C@@H]5[C@@](CC[C@]64[C@@]1([C@H](OC(=O)/C=C/C=C/[C@]14[C@H]([C@]7([C@@H](C(=O)OC6)O7)CCO4)OC(=O)[C@@H]1O)C3)C)(O5)C)CO2
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
FungiIncertae sedisMyrothecium roridum Ref.
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OrganismMyrothecium roridum
ReferenceHayakawa,J.Antibiot.,28,(1975),550

Jarvis,J.Org.Chem.,51,(1986),2906