Marvin 08191110412D 35 35 0 0 1 0 999 V2000 5.0278 -13.4983 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.0278 -14.3233 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.3132 -13.0858 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3132 -14.7358 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.5988 -13.4983 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.5988 -14.3233 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.7422 -13.0858 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7422 -14.7358 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3132 -15.5608 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8844 -14.7358 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8844 -13.0858 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7449 -13.0858 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4595 -13.4983 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0305 -13.4983 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.1739 -13.0858 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4595 -14.3233 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3160 -13.0858 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.1739 -12.2608 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.8884 -13.4983 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.6015 -13.4983 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8870 -13.0858 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6015 -14.3233 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1726 -13.4983 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4581 -13.0858 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7436 -13.4983 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0291 -13.0858 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3146 -13.4983 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0291 -12.2608 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6002 -13.0858 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8857 -13.4983 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1712 -13.0858 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4568 -13.4983 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1712 -12.2608 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4568 -14.3233 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8826 -12.2658 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 2 4 1 0 0 0 0 3 5 1 0 0 0 0 4 6 1 0 0 0 0 5 6 1 0 0 0 0 1 7 1 1 0 0 0 2 8 1 6 0 0 0 4 9 1 1 0 0 0 6 10 1 6 0 0 0 5 11 1 1 0 0 0 12 13 2 0 0 0 0 12 14 1 0 0 0 0 13 15 1 0 0 0 0 13 16 1 0 0 0 0 14 17 2 0 0 0 0 15 18 2 0 0 0 0 15 19 1 0 0 0 0 17 20 1 0 0 0 0 20 21 2 0 0 0 0 20 22 1 0 0 0 0 21 23 1 0 0 0 0 23 24 2 0 0 0 0 24 25 1 0 0 0 0 25 26 2 0 0 0 0 26 27 1 0 0 0 0 26 28 1 0 0 0 0 27 29 2 0 0 0 0 29 30 1 0 0 0 0 30 31 2 0 0 0 0 31 32 1 0 0 0 0 31 33 1 0 0 0 0 32 34 2 0 0 0 0 32 7 1 0 0 0 0 11 35 1 0 0 0 0 M END > CHEBI:62765 > beta-D-glucosyl crocetin > A dicarboxylic acid monoester resulting from the formal condensation of one of the carboxylic acid groups of crocetin with the anomeric hydroxy group of β-D-glucopyranose. > 3 > trans-crocetin beta-D-glucosyl ester; crocetin mono(beta-D-glucosyl) ester; crocetin beta-D-glucosyl ester; crocetin beta-D-glucopyranosyl ester; all-trans-crocetin mono(beta-D-glucosyl) ester > 1-O-[(2E,4E,6E,8E,10E,12E,14E)-15-carboxy-2,6,11-trimethylhexadeca-2,4,6,8,10,12,14-heptaenoyl]-beta-D-glucopyranose > C26H34O9 > 490.54280 > 490.22028 > 0 > CC(\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](O)[C@H](O)[C@H]1O > InChI=1S/C26H34O9/c1-16(11-7-13-18(3)24(31)32)9-5-6-10-17(2)12-8-14-19(4)25(33)35-26-23(30)22(29)21(28)20(15-27)34-26/h5-14,20-23,26-30H,15H2,1-4H3,(H,31,32)/b6-5+,11-7+,12-8+,16-9+,17-10+,18-13+,19-14+/t20-,21-,22+,23-,26+/m1/s1 > ZVGODNZUEWDIPM-YXRLTKITSA-N > 7783234 > CPD-8663 > 15605174 $$$$