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crocetin

Properties

Image

Occurences in reactions

MNX_ID

MNXM3952

	#reac
in my sandbox	0
in MNXref (generic)	5
in models (compartimentalized)	0

formula

C₂₀H₂₂O₄

charge

-2

mass

326.15291

reference

chebi:62767

InChIKey

PANKHBYNKQNAHN-MQQNZMFNSA-L

InChI

InChI=1S/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)/p-2/b6-5+,11-7+,12-8+,15-9+,16-10+,17-13+,18-14+

SMILES

CC(/C=C/C=C(\C)C(=O)[O-])=C\C=C\C=C(C)\C=C\C=C(/C)C(=O)[O-]

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:62767 chebi:62767	crocetin (2E,4E,6E,8E,10E,12E,14E)-2,6,11,15-tetramethylhexadeca-2,4,6,8,10,12,14-heptaenedioate 8,8'-diapo-8,8'-carotenedioate 8,8'-diapo-psi,psi-carotenedioate 8,8'-diapocarotene-8,8'-dioate 8,8'-diapocarotenedioate crocetin dianion crocetin(2-)
kegg.compound:C08588 keggC:C08588 lipidmaps:LMPR0104010020 lipidmapsM:LMPR0104010020	Crocetin 8,8'-Diapocarotene-8,8'-dioic acid
seed.compound:cpd05495 seedM:cpd05495	Crocetin 8,8'-Diapocarotene-8,8'-dioic acid 8,8'-diapocarotene-8,8'-dioic acid crocetin
kegg.drug:D11912 keggD:D11912	Transcrocetin (USAN)
metacyc.compound:CPD-8662 metacycM:CPD-8662	crocetin
CHEBI:3918 chebi:3918	crocetin (2E,4E,6E,8E,10E,12E,14E)-2,6,11,15-tetramethylhexadeca-2,4,6,8,10,12,14-heptaenedioic acid 8,8'-diapo-8,8'-carotenedioic acid 8,8'-diapo-psi,psi-carotenedioic acid 8,8'-diapocarotene-8,8'-dioic acid 8,8'-diapocarotenedioic acid Crocetin trans-crocetin
keggC:M_C08588 keggD:M_D11912 seedM:M_cpd05495	secondary/obsolete/fantasy identifier