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crocetin (CHEBI:3918)

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ChEBI Name crocetin
ChEBI ID CHEBI:3918
Definition A natural carotenoid dicarboxylic acid found in the crocus flower
Last Modified 02 December 2009
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:604445
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InChI
InChI=1/C20H24O4/c1-15(11-7-13-17(3)19(21)22)9-5-6-10-16(2)12-8-14-18(4)20(23)24/h5-14H,1-4H3,(H,21,22)(H,23,24)/b6-5+,11-7+,12-8+,15-9+,16-10+,17-13+,18-14+/f/h21,23H
InChIKey
InChIKey=PANKHBYNKQNAHN-REKQYVTJDY
SMILES
CC(\C=C\C=C(/C)C(O)=O)=C/C=C/C=C(C)/C=C/C=C(\C)C(O)=O
Formula Source
C20H24O4 KEGG COMPOUND
Charge 0
Mass 328.40216
ChEBI Ontology
Tree view
Outgoing crocetin (CHEBI:3918) is a carotenoic acid (CHEBI:35311)
crocetin (CHEBI:3918) is a diterpenoid (CHEBI:23849)
IUPAC Names
(2E,4E,6E,8E,10E,12E,14E)-2,6,11,15-tetramethylhexadeca-2,4,6,8,10,12,14-heptaenedioic acid
8,8'-diapocarotene-8,8'-dioic acid
Synonyms Sources
8,8'-diapo-8,8'-carotenedioic acid CBN
8,8'-diapo-ψ,ψ-carotenedioic acid ChemIDplus
8,8'-diapocarotenedioic acid ChemIDplus
Crocetin KEGG COMPOUND
Database Links Databases
C08588 KEGG COMPOUND
604445 ChEMBL
Registry Numbers Types Sources
1715455 Beilstein Registry Number Beilstein
27876-94-4 CAS Registry Number KEGG COMPOUND
27876-94-4 CAS Registry Number ChemIDplus
Citation Waiting for Citations Type Source
16038536 PubMed citation ChEMBL

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