CHEBI:210820 - Fiscpropionate C

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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 C
ChEBI ID CHEBI:210820
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C26H40O6
Net Charge 0
Average Mass 448.600
Monoisotopic Mass 448.28249
InChI InChI=1S/C26H40O6/c1-7-23(17-32-22(6)27)15-20(4)13-18(2)12-19(3)14-21(5)16-24(26(30)31)10-8-9-11-25(28)29/h8-11,14,16,18-20,23H,7,12-13,15,17H2,1-6H3,(H,28,29)(H,30,31)/b10-8+,11-9+,21-14+,24-16-/t18-,19-,20-,23+/m1/s1
InChIKey ZYGNASYDERYKGT-RQUKOVBASA-N
SMILES O=C(O)/C(=C\C(=C\[C@@H](C[C@H](C[C@H](C[C@@H](COC(=O)C)CC)C)C)C)\C)/C=C/C=C/C(=O)O
Metabolite of Species Details
Aspergillus (NCBI:txid5052) See: PubMed
ChEBI Ontology
Outgoing Fiscpropionate C (CHEBI:210820) is a diterpenoid (CHEBI:23849)
IUPAC Name
(2E,4E,6Z)-6-[(E,4R,6S,8R,10S)-10-(acetyloxymethyl)-2,4,6,8-tetramethyldodec-2-enylidene]hepta-2,4-dienedioic acid
Manual Xref Database
81360804 ChemSpider
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