input word = C00012612

Metabolite InformationStructural formula
Name 13'-Deoxy-7',8'-dihydro-13'-oxo-satratoxin H
Mytoxin B
Formula C29H36O9
Mw 528.23593275
CAS RN 105049-15-8
C_ID C00012612 ,
InChIKey LXIQXFWXXPJPEE-OKQHUQJJNA-N
InChICode InChI=1S/C29H36O9/c1-17-7-10-27-15-34-24(32)13-19-8-11-35-28(18(2)30,25(19)33)9-5-4-6-23(31)38-20-14-22(37-21(27)12-17)29(16-36-29)26(20,27)3/h4,6,12-13,20-22,25,33H,5,7-11,14-16H2,1-3H3/b6-4+,19-13+/t20-,21+,22-,25-,26-,27+,28+,29+/m1/s1
SMILES C1=C(CC[C@]23[C@H]1O[C@H]1[C@@]4([C@@]2([C@H](OC(=O)/C=C/CC[C@]2(OCC/C(=C\C(=O)OC3)/[C@H]2O)C(=O)C)C1)C)OC4)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
FungiIncertae sedisMyrothecium roridum Ref.
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