CHEBI:199566 - Nodulisporisteroid 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 Nodulisporisteroid D
ChEBI ID CHEBI:199566
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C23H36O4
Net Charge 0
Average Mass 376.537
Monoisotopic Mass 376.26136
InChI InChI=1S/C23H36O4/c1-14(24)17-7-6-16-19-9-8-18(15(2)25)22(19,3)12-10-20(16)23(17,4)13-11-21(26)27-5/h14,17-19,24H,6-13H2,1-5H3/t14-,17-,18+,19-,22+,23-/m0/s1
InChIKey AYPDMGOMQQLQMP-ICSJKIKGSA-N
SMILES O=C(OC)CC[C@@]1(C2=C([C@H]3[C@]([C@@H](C(=O)C)CC3)(C)CC2)CC[C@H]1[C@@H](O)C)C
Metabolite of Species Details
Nodulisporium (NCBI:txid96453) See: PubMed
ChEBI Ontology
Outgoing Nodulisporisteroid D (CHEBI:199566) is a fatty acid ester (CHEBI:35748)
IUPAC Name
methyl 3-[(3S,3aS,6S,7R,9bR)-3-acetyl-7-[(1S)-1-hydroxyethyl]-3a,6-dimethyl-2,3,4,5,7,8,9,9b-octahydro-1H-cyclopenta[a]naphthalen-6-yl]propanoate
Manual Xref Database
78443370 ChemSpider
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