CHEBI:210826 - Fiscpropionate 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 Fiscpropionate D
ChEBI ID CHEBI:210826
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C29H47NO4
Net Charge 0
Average Mass 473.698
Monoisotopic Mass 473.35051
InChI InChI=1S/C29H47NO4/c1-7-21(2)15-24(5)18-26(20-31)19-25(6)17-23(4)16-22(3)11-8-9-13-28(33)30-14-10-12-27(32)29(30)34/h8-9,11,13,16-17,21,24-27,31-32H,7,10,12,14-15,18-20H2,1-6H3/b11-8+,13-9+,22-16+,23-17+/t21-,24-,25-,26-,27?/m0/s1
InChIKey ILIRNOFAKGDUJL-DINPGYPASA-N
SMILES O=C1N(C(=O)/C=C/C=C/C(=C/C(=C/[C@@H](C[C@@H](CO)C[C@H](C[C@H](CC)C)C)C)/C)/C)CCCC1O
Metabolite of Species Details
Aspergillus (NCBI:txid5052) See: PubMed
ChEBI Ontology
Outgoing Fiscpropionate D (CHEBI:210826) is a diterpenoid (CHEBI:23849)
IUPAC Name
3-hydroxy-1-[(2E,4E,6E,8E,10R,12S,14S,16S)-12-(hydroxymethyl)-6,8,10,14,16-pentamethyloctadeca-2,4,6,8-tetraenoyl]piperidin-2-one
Manual Xref Database
81360805 ChemSpider
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