CHEBI:174729 - 3,4-Dihydroxy-9-methoxypterocarpan

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 3,4-Dihydroxy-9-methoxypterocarpan
ChEBI ID CHEBI:174729
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C16H14O5
Net Charge 0
Average Mass 286.283
Monoisotopic Mass 286.08412
InChI InChI=1S/C16H14O5/c1-19-8-2-3-9-11-7-20-16-10(4-5-12(17)14(16)18)15(11)21-13(9)6-8/h2-6,11,15,17-18H,7H2,1H3
InChIKey YRFDJOAWSXSLMG-UHFFFAOYSA-N
SMILES O1C2C(C3=C1C=C(OC)C=C3)COC4=C2C=CC(O)=C4O
ChEBI Ontology
Outgoing 3,4-Dihydroxy-9-methoxypterocarpan (CHEBI:174729) is a pterocarpans (CHEBI:26377)
IUPAC Name
9-methoxy-6a,11a-dihydro-6H-[1]benzouro[3,2-c]chromene-3,4-diol
Manual Xrefs Databases
9711318 ChemSpider
HMDB0034012 HMDB
LMPK12070074 LIPID MAPS
View more database links