input word = C00012678

Metabolite InformationStructural formula
Name Roritoxin A
7',8'-Didehydrovertisporin
Formula C29H34O10
Mw 542.21519731
CAS RN 102852-48-2
C_ID C00012678 ,
InChIKey OKEHNIGMVFQYPZ-JBQVEOKHNA-N
InChICode InChI=1S/C29H34O10/c1-16-6-9-27-14-34-22(31)12-17-7-10-35-28(23(32)25(33)39-24(17)28)8-4-3-5-21(30)38-18-13-20(37-19(27)11-16)29(15-36-29)26(18,27)2/h3-5,8,11-12,16,18,20,23-25,32-33H,6-7,9-10,13-15H2,1-2H3/b5-3+,8-4-,17-12-/t16-,18+,20-,23+,24+,25-,26-,27-,28+,29+/m0/s1
SMILES CC1C=C2OC3CC4OC(=O)/C=C/C=CC56OCC/C(=C/C(=O)OCC2(CC1)C4(C)C31CO1)C5OC(O)C6O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
FungiIncertae sedisMyrothecium roridum Ref.
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