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beta-D-gentiobiosyl crocetin

MNXM4484 is deprecated and here replaced by MNXM1369546
!!! Alternative mappings exist !!!
PropertiesImage
MNX_IDMNXM1369546 Image of MNXM1369546
referencechebi:62770
formulaC32H43O14
global charge-1
mol weight651.682
InChIKeyVULLCGFNYWDRHL-YJOFKXFJSA-M
InChIInChI=1S/C32H44O14/c1-17(11-7-13-19(3)29(40)41)9-5-6-10-18(2)12-8-14-20(4)30(42)46-32-28(39)26(37)24(35)22(45-32)16-43-31-27(38)25(36)23(34)21(15-33)44-31/h5-14,21-28,31-39H,15-16H2,1-4H3,(H,40,41)/p-1/b6-5+,11-7+,12-8+,17-9+,18-10+,19-13+,20-14+/t21-,22-,23-,24-,25+,26+,27-,28-,31-,32+/m1/s1
SMILESCC(/C=C/C=C(\C)C(=O)[O-])=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
MNX internals
InChI (mnx)InChI=1/C32H44O14/c1-17(11-7-13-19(3)29(40)41)9-5-6-10-18(2)12-8-14-20(4)30(42)46-32-28(39)26(37)24(35)22(45-32)16-43-31-27(38)25(36)23(34)21(15-33)44-31/h5-14,21-28,31-39H,15-16H2,1-4H3,(H,40,41)/b6-5+,11-7+,12-8+,17-9+,18-10+,19-13+,20-14+/t21-,22-,23-,24-,25+,26+,27-,28-,31-,32+/m1/s1 Image of MNXM1369546
SMILES (mnx)[CH3:1][C:17](=[CH:9]\[CH:5]=[CH:6]\[CH:10]=[C:18]([CH3:2])\[CH:12]=[CH:8]\[CH:14]=[C:20](/[CH3:4])[C:30](=[O:42])[O:46][C@H:32]1[C@H:28]([OH:39])[C@@H:26]([OH:37])[C@H:24]([OH:35])[C@@H:22]([CH2:16][O:43][C@H:31]2[C@H:27]([OH:38])[C@@H:25]([OH:36])[C@H:23]([OH:34])[C@@H:21]([CH2:15][OH:33])[O:44]2)[O:45]1)/[CH:11]=[CH:7]/[CH:13]=[C:19](\[CH3:3])[C:29](=[O:40])[OH:41]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)2
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:62770
chebi:62770
VULLCGFNYWDRHL-YJOFKXFJSA-M 		beta-D-gentiobiosyl crocetin
1-O-[(2E,4E,6E,8E,10E,12E,14E)-15-carboxylato-2,6,11-trimethylhexadeca-2,4,6,8,10,12,14-heptaenoyl]-6-O-beta-D-glucopyranosyl-beta-D-glucopyranose
all-trans-crocetin mono(beta-D-gentiobiosyl) ester(1-)
beta-D-gentiobiosyl crocetin(1-)
crocetin mono(beta-gentiobiosyl) ester(1-)
trans-crocetin beta-D-gentiobiosyl ester(1-)

kegg.compound:C19869
keggC:C19869
VULLCGFNYWDRHL-YJOFKXFJSA-N 		beta-D-Gentiobiosyl crocetin

seed.compound:cpd21110
seedM:cpd21110
VULLCGFNYWDRHL-YJOFKXFJSA-M 		beta-D-Gentiobiosyl crocetin
beta-D-gentiobiosyl crocetin
crocetin monogentiobiosyl ester

CHEBI:62769
chebi:62769
VULLCGFNYWDRHL-YJOFKXFJSA-N 		beta-D-gentiobiosyl crocetin
1-O-[(2E,4E,6E,8E,10E,12E,14E)-15-carboxy-2,6,11-trimethylhexadeca-2,4,6,8,10,12,14-heptaenoyl]-6-O-beta-D-glucopyranosyl-beta-D-glucopyranose
all-trans-crocetin mono(beta-D-gentiobiosyl) ester
crocetin mono(beta-gentiobiosyl) ester
trans-crocetin beta-D-gentiobiosyl ester

keggC:M_C19869
seedM:M_cpd21110 		secondary/obsolete/fantasy identifier