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

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ChEBI Name 2',3'-Epoxymyrothecine A
ChEBI ID CHEBI:199016
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C27H34O10
Net Charge 0
Average Mass 518.559
Monoisotopic Mass 518.21520
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
SMILES O=C1OC2C3(C4(C5C(C(O)(C)CC4)CC3(O)C(C2)O5)COC(=O)C6C7(C(C(=CCC=C1)OCC7)O)O6)C
Metabolite of Species Details
Paramyrothecium roridum (NCBI:txid1859971) See: PubMed
ChEBI Ontology
Outgoing 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