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CHEBI:69619 - Crotocin

ChEBI IDCHEBI:69619
ChEBI NameCrotocin
Stars
DefinitionA natural product found in Trichothecium species MSX 51320.
Last Modified22 September 2014
DownloadsMolfile
FormulaC19H24O5
Net Charge0
Average Mass332.396
Monoisotopic Mass332.16237
SMILES[H][C@]12O[C@@]1([H])C(C)=C[C@@]1([H])O[C@]3([H])C[C@@H](OC(=O)/C=C\C)[C@@](C)([C@]34CO4)[C@@]21C
InChIInChI=1S/C19H24O5/c1-5-6-14(20)23-12-8-13-19(9-21-19)18(12,4)17(3)11(22-13)7-10(2)15-16(17)24-15/h5-7,11-13,15-16H,8-9H2,1-4H3/b6-5-/t11-,12-,13-,15+,16+,17-,18-,19+/m1/s1
InChIKeyLAQCZBYXNRANFU-WQOXNDGTSA-N
Species of MetaboliteComponentSourceComments
Trichothecium species MSX 51320 (ncbitaxon:1094547) - PubMed (21978324) Mycosynthetix fungal strain was isolated by Dr.Barry Katz from leaf litter
Roles Classification
Biological Roles:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
mycotoxin  Poisonous substance produced by fungi.
ChEBI Ontology
Outgoing Relation(s)
Crotocin (CHEBI:69619) has role metabolite (CHEBI:25212)
Crotocin (CHEBI:69619) is a trichothecene (CHEBI:55517)
Synonym  Source
4-Isocrotonyloxy-7,8-epoxyscirp-9-eneChEBI
Registry NumbersSources
CAS:21284-11-7ChemIDplus
Citations