input word = C00012628

Metabolite InformationStructural formula
Name Satratoxin H
Formula C29H36O9
Mw 528.23593275
CAS RN 53126-64-0
C_ID C00012628 ,
InChIKey MUACSCLQRGEGOE-GFJGDTHQNA-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/h4-6,9,12-13,18,20-22,25,30,33H,7-8,10-11,14-16H2,1-3H3/b6-4-,9-5+,19-13-/t18-,20+,21+,22+,25+,26+,27+,28+,29-/m0/s1
SMILES C1=C(CC[C@@]23[C@@H]1O[C@H]1[C@@]4([C@@]2([C@H](OC(=O)/C=C\C=C\[C@@]2(OCC/C(=C/C(=O)OC3)/[C@H]2O)[C@H](C)O)C1)C)OC4)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
--Stachybotrys chartarum Ref.
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