CHEBI:225224 - Glaucopine A

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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 Glaucopine A
ChEBI ID CHEBI:225224
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C21H30O4
Net Charge 0
Average Mass 346.467
Monoisotopic Mass 346.21441
InChI InChI=1S/C21H30O4/c1-12(2)14-8-9-20(3)16(23)10-21(4)15(17(14)20)7-6-13(11-22)18(25-5)19(21)24/h6,11-12,15,18-19,24H,7-10H2,1-5H3/t15-,18-,19+,20-,21-/m1/s1
InChIKey AKKRSUAQLBEBRV-CMWLGVBASA-N
SMILES O=C1[C@@]2(C(=C(C(C)C)CC2)[C@H]3CC=C([C@H]([C@@H]([C@@]3(C1)C)O)OC)C=O)C
Metabolite of Species Details
Hydnellum glaucopus (NCBI:txid2780564) See: PubMed
ChEBI Ontology
Outgoing Glaucopine A (CHEBI:225224) is a diterpenoid (CHEBI:23849)
IUPAC Name
(3aS,5aR,6R,7R,10aR)-6-hydroxy-7-methoxy-3a,5a-dimethyl-4-oxo-1-propan-2-yl-3,5,6,7,10,10a-hexahydro-2H-cyclohepta[e]indene-8-carbaldehyde
Manual Xref Database
78437770 ChemSpider
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