2754a (CHEBI:219155)

Main

ChEBI Ontology

Automatic Xrefs

Reactions

Pathways

Models

This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.

ChEBI Name	2754a

ChEBI ID	CHEBI:219155

Stars	This entity has been manually annotated by a third party.

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C17H18O8

Net Charge

Average Mass

350.323

Monoisotopic Mass

350.10017

InChI

InChI=1S/C17H18O8/c1-8-17(23)15(21)13-10(4-3-5-11(13)18)14(20)16(17,22)7-9(25-8)6-12(19)24-2/h3-5,8-9,18,22-23H,6-7H2,1-2H3/t8-,9-,16+,17-/m0/s1

InChIKey

WURVMBZYPYVWNH-QCCKTTINSA-N

SMILES

O=C1C2=C(O)C=CC=C2C(=O)[C@]3([C@]1(O)[C@@H](O[C@H](C3)CC(=O)OC)C)O

Metabolite of Species	Details
Streptomyces (NCBI:txid1883)	See: PubMed

ChEBI Ontology
Outgoing	2754a (CHEBI:219155) is a organic heterotricyclic compound (CHEBI:26979) 2754a (CHEBI:219155) is a organooxygen compound (CHEBI:36963)

IUPAC Name

methyl 2-[(1S,3R,4aS,10aR)-4a,9,10a-trihydroxy-1-methyl-5,10-dioxo-3,4-dihydro-1H-benzo[g]isochromen-3-yl]acetate