CHEBI:203628 - Heptemerone D

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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 D
ChEBI ID CHEBI:203628
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C24H32O7
Net Charge 0
Average Mass 432.513
Monoisotopic Mass 432.21480
InChI InChI=1S/C24H32O7/c1-12(2)17-19(31-14(4)26)20(27)24(28)21-18-15(11-29-21)16(30-13(3)25)7-8-22(18,5)9-10-23(17,24)6/h11-12,16-17,19,28H,7-10H2,1-6H3/t16-,17-,19+,22-,23+,24+/m0/s1
InChIKey ZIKZQHFSXRIGND-ADRHIFFHSA-N
SMILES O=C1[C@@]2(O)C=3OC=C4C3[C@](CC[C@@H]4OC(=O)C)(C)CC[C@]2(C)[C@H]([C@H]1OC(=O)C)C(C)C
Metabolite of Species Details
Coprinellus heptemerus (NCBI:txid71708) See: PubMed
ChEBI Ontology
Outgoing Heptemerone D (CHEBI:203628) is a carboxylic ester (CHEBI:33308)
Heptemerone D (CHEBI:203628) is a ketone (CHEBI:17087)
IUPAC Name
[(2S,4R,5R,6R,9R,12S)-4-acetyloxy-2-hydroxy-6,9-dimethyl-3-oxo-5-propan-2-yl-15-oxatetracyclo[7.6.1.02,6.013,16]hexadeca-1(16),13-dien-12-yl] acetate
Manual Xref Database
9341460 ChemSpider
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