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CHEBI:212018 - Satratoxin H 12',13'-diacetate

ChEBI IDCHEBI:212018
ChEBI NameSatratoxin H 12',13'-diacetate
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC33H40O11
Net Charge0
Average Mass612.672
Monoisotopic Mass612.25706
SMILESCC(=O)OC(C)C12C=C/C=C\C(=O)O[C@@H]3CC4OC5C=C(C)CC[C@]5(COC(=O)C=C(CCO1)[C@H]2OC(C)=O)[C@]3(C)[C@@]41CO1
InChIInChI=1S/C33H40O11/c1-19-9-12-31-17-38-28(37)15-23-10-13-39-32(20(2)41-21(3)34,29(23)42-22(4)35)11-7-6-8-27(36)44-24-16-26(43-25(31)14-19)33(18-40-33)30(24,31)5/h6-8,11,14-15,20,24-26,29H,9-10,12-13,16-18H2,1-5H3/b8-6-,11-7?,23-15?/t20?,24-,25?,26?,29-,30-,31-,32?,33-/m1/s1
InChIKeyPCFSOFHNZOHJSF-PPSYOJDSSA-N
Species of MetaboliteComponentSourceComments
Podostroma (ncbitaxon:235375) - DOI (10.1016/s0040-4020(01)00824-9)
Roles Classification
Biological Role:
mycotoxin  Poisonous substance produced by fungi.
ChEBI Ontology
Outgoing Relation(s)
Satratoxin H 12',13'-diacetate (CHEBI:212018) is a trichothecene (CHEBI:55517)
IUPAC Name 
[(6R,14R,15S,16R,19Z,27R)-23-(1-acetyloxyethyl)-9,15-dimethyl-3,18-dioxospiro[4,12,17,24-tetraoxapentacyclo[21.3.1.113,16.06,11.06,15]octacosa-1,9,19,21-tetraene-14,2'-oxirane]-27-yl] acetate