CHEBI:217519 - Monapinone D

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 Monapinone D
ChEBI ID CHEBI:217519
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information ZINC000004097885
Download Molfile XML SDF
Formula C21H26O8
Net Charge 0
Average Mass 406.431
Monoisotopic Mass 406.16277
InChI InChI=1S/C21H26O8/c1-10(22)3-13(23)7-14(24)8-16-6-12-4-11-5-15(28-2)9-17(25)18(11)20(26)19(12)21(27)29-16/h4-5,9-10,13-14,16,22-26H,3,6-8H2,1-2H3/t10?,13?,14?,16-/m0/s1
InChIKey UNRIUFZKWKVLAP-QCEIDJRWSA-N
SMILES O=C1O[C@@H](CC=2C1=C(O)C3=C(O)C=C(OC)C=C3C2)CC(O)CC(O)CC(O)C
Metabolite of Species Details
Penicillium (NCBI:txid5073) See: PubMed
ChEBI Ontology
Outgoing Monapinone D (CHEBI:217519) is a organic heterotricyclic compound (CHEBI:26979)
Monapinone D (CHEBI:217519) is a organooxygen compound (CHEBI:36963)
IUPAC Name
(3S)-9,10-dihydroxy-7-methoxy-3-(2,4,6-trihydroxyheptyl)-3,4-dihydrobenzo[g]isochromen-1-one
Manual Xref Database
78445287 ChemSpider
View more database links