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 CC1=CC2OC3CC4OC(=O)/C=C/C=C/C56OCCC7(OC7C(=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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