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CHEBI:225156 - 7beta,8,beta2,'3'-diepoxyroridin H

ChEBI IDCHEBI:225156
ChEBI Name7beta,8,beta2,'3'-diepoxyroridin H
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC29H34O10
Net Charge0
Average Mass542.581
Monoisotopic Mass542.21520
SMILESCC1=C[C@H]2OC3C[C@H]4OC(=O)/C=C\C=C/C5OC(CC6(C)OC6C(=O)OC[C@@]2([C@@H]2OC12)C4(C)[C@]31CO1)OC5C
InChIInChI=1S/C29H34O10/c1-14-9-18-28(23-22(14)38-23)12-32-25(31)24-26(3,39-24)11-21-34-15(2)16(35-21)7-5-6-8-20(30)37-17-10-19(36-18)29(13-33-29)27(17,28)4/h5-9,15-19,21-24H,10-13H2,1-4H3/b7-5-,8-6-/t15?,16?,17-,18-,19?,21?,22?,23-,24?,26?,27?,28-,29+/m1/s1
InChIKeyJIOIZCCNKQQRDN-PZDQGOAHSA-N
Species of MetaboliteComponentSourceComments
Cylindrocarpon (ncbitaxon:13474) - PubMed (561773)
Roles Classification
Biological Role:
mycotoxin  Poisonous substance produced by fungi.
ChEBI Ontology
Outgoing Relation(s)
7beta,8,beta2,'3'-diepoxyroridin H (CHEBI:225156) is a trichothecene (CHEBI:55517)
IUPAC Name 
(9S,10S,15R,18S,20R,23Z,25Z)-3,13,19,28-tetramethylspiro[4,7,11,16,21,29,30-heptaoxaheptacyclo[25.2.1.117,20.03,5.09,15.09,19.010,12]hentriaconta-13,23,25-triene-18,2'-oxirane]-6,22-dione