CHEBI:166696 - Dihydromenaquinone-8

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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 Dihydromenaquinone-8
ChEBI ID CHEBI:166696
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
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Formula C51H74O2
Net Charge 0
Average Mass 719.151
Monoisotopic Mass 718.56888
InChI InChI=1S/C51H74O2/c1-38(2)20-13-21-39(3)22-14-23-40(4)24-15-25-41(5)26-16-27-42(6)28-17-29-43(7)30-18-31-44(8)32-19-33-45(9)36-37-47-46(10)50(52)48-34-11-12-35-49(48)51(47)53/h11-12,20,22,24,26,28,30,34-36,44H,13-19,21,23,25,27,29,31-33,37H2,1-10H3/b39-22+,40-24+,41-26+,42-28+,43-30+,45-36+
InChIKey ROENOAFLUDRPDJ-PPGBVOQZSA-N
SMILES O=C1C(C\C=C(\CCCC(CC/C=C(/CC/C=C(/CC/C=C(/CC\C=C(\CC/C=C(/CCC=C(C)C)\C)/C)\C)\C)\C)C)/C)=C(C(=O)C=2C1=CC=CC2)C
ChEBI Ontology
Outgoing Dihydromenaquinone-8 (CHEBI:166696) is a 1,4-naphthoquinones (CHEBI:132142)
IUPAC Name
2-methyl-3-[(2E,10E,14E,18E,22E,26E)-3,7,11,15,19,23,27,31-octamethyldotriaconta-2,10,14,18,22,26,30-heptaenyl]naphthalene-1,4-dione
Manual Xrefs Databases
4946292 ChemSpider
LMPR02010039 LIPID MAPS
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Registry Number Type Source
21632-35-9 CAS Registry Number ChemIDplus
Last Modified
28 July 2021