6′,12′-epoxymyrotoxin A (CHEBI:207660)

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CHEBI:207660 - 6′,12′-epoxymyrotoxin A

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ChEBI ID	CHEBI:207660
ChEBI Name	6′,12′-epoxymyrotoxin A
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C27H32O9
Net Charge	0
Average Mass	500.544
Monoisotopic Mass	500.20463
SMILES	CC1=C[C@H]2O[C@@H]3C[C@H]4OC(=O)/C=C\CC[C@@]56OCC[C@@]7(OC7C(=O)OC[C@@]2(CC1)[C@]4(C)[C@]31CO1)[C@@H]5O6
InChI	InChI=1S/C27H32O9/c1-15-6-8-24-13-30-21(29)20-25(35-20)9-10-31-27(22(25)36-27)7-4-3-5-19(28)34-16-12-18(33-17(24)11-15)26(14-32-26)23(16,24)2/h3,5,11,16-18,20,22H,4,6-10,12-14H2,1-2H3/b5-3-/t16-,17-,18-,20?,22+,23-,24-,25+,26+,27+/m1/s1
InChIKey	CCAQACMMYKFZRW-LAXHBDILSA-N

Species of Metabolite	Component	Source	Comments
Paramyrothecium roridum (ncbitaxon:1859971)	-	PubMed (31026874)

Roles Classification

Biological Role:

mycotoxin Poisonous substance produced by fungi.

ChEBI Ontology

Outgoing Relation(s)
	6′,12′-epoxymyrotoxin A (CHEBI:207660) is a trichothecene (CHEBI:55517)

IUPAC Name
(1R,7R,12R,14R,15S,16S,17R,20Z,24S,28S)-10,16-dimethylspiro[2,5,13,18,25,29-hexaoxaheptacyclo[22.3.2.114,17.01,3.07,12.07,16.024,28]triaconta-10,20-diene-15,2'-oxirane]-4,19-dione