2',3'-Epoxymyrothecine A (CHEBI:199016)

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CHEBI:199016 - 2',3'-Epoxymyrothecine A

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ChEBI ID	CHEBI:199016
ChEBI Name	2',3'-Epoxymyrothecine A
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C27H34O10
Net Charge	0
Average Mass	518.559
Monoisotopic Mass	518.21520
SMILES	CC1(O)CCC23COC(=O)C4OC45CCOC(=CCC=CC(=O)OC4CC6OC2C1CC6(O)C43C)C5O
InChI	InChI=1S/C27H34O10/c1-23(31)7-8-25-13-34-22(30)21-26(37-21)9-10-33-15(19(26)29)5-3-4-6-18(28)35-16-11-17-27(32,24(16,25)2)12-14(23)20(25)36-17/h4-6,14,16-17,19-21,29,31-32H,3,7-13H2,1-2H3
InChIKey	MFYBFTHFQCQFJJ-UHFFFAOYSA-N

Species of Metabolite	Component	Source	Comments
Paramyrothecium roridum (ncbitaxon:1859971)	-	PubMed (24909753)

ChEBI Ontology

Outgoing Relation(s)
	2',3'-Epoxymyrothecine A (CHEBI:199016) is a macrolide (CHEBI:25106)

IUPAC Name
10,15,28-trihydroxy-10,16-dimethyl-2,5,13,18,25-pentaoxaheptacyclo[22.3.1.111,15.114,17.01,3.07,12.07,16]triaconta-20,23-diene-4,19-dione