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CHEBI:225839 - YM-47525

ChEBI IDCHEBI:225839
ChEBI NameYM-47525
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SubmitterMetaboLights
DownloadsMolfile
FormulaC33H46O11
Net Charge0
Average Mass618.720
Monoisotopic Mass618.30401
SMILESCCCC(=O)O[C@H]1C[C@@]23COC(=O)[C@@H](O)[C@@H](C)CCO[C@@H]([C@H](C)O)/C=C\C=C\C(=O)O[C@@H]4C[C@@H](O[C@@H]2C=C1C)[C@@]1(CO1)[C@]43C
InChIInChI=1S/C33H46O11/c1-6-9-27(35)42-23-16-32-17-40-30(38)29(37)19(2)12-13-39-22(21(4)34)10-7-8-11-28(36)44-24-15-26(43-25(32)14-20(23)3)33(18-41-33)31(24,32)5/h7-8,10-11,14,19,21-26,29,34,37H,6,9,12-13,15-18H2,1-5H3/b10-7-,11-8+/t19-,21-,22+,23-,24+,25+,26+,29-,31+,32+,33-/m0/s1
InChIKeyOKPWMIFNHOMGBT-MYINVFMUSA-N
Roles Classification
Biological Role:
mycotoxin  Poisonous substance produced by fungi.
ChEBI Ontology
Outgoing Relation(s)
YM-47525 (CHEBI:225839) is a trichothecene (CHEBI:55517)
IUPAC Name 
[(1R,3R,6S,8R,12S,13S,17R,18Z,20E,24R,25S,26S)-12-hydroxy-17-[(1S)-1-hydroxyethyl]-5,13,25-trimethyl-11,22-dioxospiro[2,10,16,23-tetraoxatetracyclo[22.2.1.03,8.08,25]heptacosa-4,18,20-triene-26,2'-oxirane]-6-yl] butanoate
Manual XrefsDatabases
78437790ChemSpider