input word = C00012680

Metabolite InformationStructural formula
Name Roritoxin D
7',8'-Didehydro-14'-deoxy-2',3'-epoxy-2',3'-dihydro-14'-oxovertisporin
Formula C29H32O11
Mw 556.19446187
CAS RN 102852-51-7
C_ID C00012680 ,
InChIKey CITZZDPFYHUTBE-HJIKTHEYNA-N
InChICode InChI=1S/C29H32O11/c1-15-6-8-26-13-34-23(33)21-28(40-21)9-10-35-27(20(31)22(32)39-24(27)28)7-4-3-5-19(30)38-16-12-18(37-17(26)11-15)29(14-36-29)25(16,26)2/h3-5,7,11,16-18,20-21,24,31H,6,8-10,12-14H2,1-2H3/b5-3+,7-4?/t16-,17+,18+,20-,21+,24+,25+,26+,27-,28+,29-/m1/s1
SMILES [C@]12([C@H]3O[C@H]4C=C(CC[C@]54[C@@]1([C@H](OC(=O)/C=C/C=C/[C@]14[C@@H]([C@@]6([C@H](C(=O)OC5)O6)CCO4)OC(=O)[C@H]1O)C3)C)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