CHEBI:197653 - (12R)-12-hydroxymonocerin

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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 (12R)-12-hydroxymonocerin
ChEBI ID CHEBI:197653
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C16H20O7
Net Charge 0
Average Mass 324.329
Monoisotopic Mass 324.12090
InChI InChI=1S/C16H20O7/c1-7(17)4-8-5-11-14(22-8)9-6-10(20-2)15(21-3)13(18)12(9)16(19)23-11/h6-8,11,14,17-18H,4-5H2,1-3H3/t7-,8+,11-,14-/m1/s1
InChIKey OAWLQCWPKLOBPA-PCAXDNMNSA-N
SMILES O=C1O[C@H]2[C@H](O[C@H](C2)C[C@H](O)C)C=3C1=C(O)C(OC)=C(OC)C3
Metabolite of Species Details
Microdochium bolleyi (NCBI:txid196109) See: PubMed
ChEBI Ontology
Outgoing (12R)-12-hydroxymonocerin (CHEBI:197653) is a 2-benzopyran (CHEBI:38444)
IUPAC Name
(2S,3aR,9bR)-6-hydroxy-2-[(2R)-2-hydroxypropyl]-7,8-dimethoxy-2,3,3a,9b-tetrahydrouro[3,2-c]isochromen-5-one
Manual Xref Database
23330202 ChemSpider
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