CHEBI:207539 - Heptemerone G

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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 Heptemerone G
ChEBI ID CHEBI:207539
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C22H30O4
Net Charge 0
Average Mass 358.478
Monoisotopic Mass 358.21441
InChI InChI=1S/C22H30O4/c1-13(2)16-11-19(25)18-10-17-15(12-23)20(26-14(3)24)6-7-21(17,4)8-9-22(16,18)5/h10,12-13,16,20H,6-9,11H2,1-5H3/t16-,20+,21+,22-/m1/s1
InChIKey ARPMJUSHFPKJRY-YPVJZLTNSA-N
SMILES O=C1C2=CC3=C(C=O)[C@@H](OC(=O)C)CC[C@@]3(C)CC[C@]2(C)[C@H](C1)C(C)C
Metabolite of Species Details
Coprinellus heptemerus (NCBI:txid71708) See: PubMed
ChEBI Ontology
Outgoing Heptemerone G (CHEBI:207539) is a carboxylic ester (CHEBI:33308)
IUPAC Name
[(3R,3aR,5aR,8S)-9-ormyl-3a,5a-dimethyl-1-oxo-3-propan-2-yl-3,4,5,6,7,8-hexahydro-2H-benzo[]azulen-8-yl] acetate
Manual Xref Database
9397136 ChemSpider
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