Feedback

beta-D-gentiobiosyl beta-D-glucosyl crocetin

Properties

Image

Occurences in reactions

MNX_ID

MNXM3929

	#reac
in my sandbox	0
in MNXref (generic)	3
in models (compartimentalized)	0

formula

C₃₈H₅₄O₁₉

charge

mass

814.32593

reference

chebi:62771

InChIKey

CZSBHMFVVLYIQQ-DRVLGOCHSA-N

InChI

InChI=1S/C38H54O19/c1-18(11-7-13-20(3)34(50)56-37-32(48)29(45)26(42)23(16-40)54-37)9-5-6-10-19(2)12-8-14-21(4)35(51)57-38-33(49)30(46)27(43)24(55-38)17-52-36-31(47)28(44)25(41)22(15-39)53-36/h5-14,22-33,36-49H,15-17H2,1-4H3/b6-5+,11-7+,12-8+,18-9+,19-10+,20-13+,21-14+/t22-,23-,24-,25-,26-,27-,28+,29+,30+,31-,32-,33-,36-,37+,38+/m1/s1

SMILES

CC(/C=C/C=C(\C)C(=O)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)=C\C=C\C=C(C)\C=C\C=C(/C)C(=O)O[C@@H]1O[C@H](CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:62771 chebi:62771	beta-D-gentiobiosyl beta-D-glucosyl crocetin (2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl (2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-({[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl]oxy}methyl)tetrahydro-2H-pyran-2-yl (2E,4E,6E,8E,10E,12E,14E)-2,6,11,15-tetramethylhexadeca-2,4,6,8,10,12,14-heptaenedioate 1-[(2E,4E,6E,8E,10E,12E,14E)-beta-D-glucopyranosyl 2,6,11,15-tetramethyl-2,4,6,8,10,12,14-hexadecaheptaenedioate] 6-O-beta-D-glucopyranosyl-beta-D-glucopyranose trans-crocetin (beta-D-glucosyl)(beta-D-gentibiosyl) ester trans-crocetin (beta-D-glucosyl)-(beta-D-gentibiosyl) ester tricrocin
SLM:000389828 slm:000389828	beta-D-gentiobiosyl beta-D-glucosyl crocetin
metacyc.compound:CPD-8665 metacycM:CPD-8665	beta-D-gentiobiosyl beta-D-glucosyl crocetin crocetin gentiobiosylglucosyl ester
kegg.compound:C17513 keggC:C17513	trans-Crocetin (beta-D-glucosyl) (beta-D-gentibiosyl) ester beta-D-Gentiobiosyl beta-D-glucosyl crocetin
seed.compound:cpd17638 seedM:cpd17638	trans-Crocetin (beta-D-glucosyl) (beta-D-gentibiosyl) ester beta-D-gentiobiosyl beta-D-glucosyl crocetin crocetin gentiobiosylglucosyl ester
keggC:M_C17513 seedM:M_cpd17638	secondary/obsolete/fantasy identifier