2,6-吡啶二羧酸,4-[2-[2-羧基-2,3-二氢-5-羟基-6-[[6-O-[3-(4-羟基-3-甲氧基苯基)-1-氧代-2-丙烯基]-b-D-吡喃葡萄糖基]氧基]-1H-吲哚-1-基]乙烯基]-2,3-二氢-(9CI)(16955-52-5)名称与标识符
名称
英文别名:
2,6-Pyridinedicarboxylicacid,4-[2-[2-carboxy-2,3-dihydro-5-hydroxy-6-[[6-O-[3-(4-hydroxy-3-methoxyphenyl)-1-oxo-2-propenyl]-b-D-glucopyranosyl]oxy]-1H-indol-1-yl]ethenyl]-2,3-dihydro-(9CI);(2S)-1-[(2E)-2-[(2S)-2,6-dicarboxy-2,3-dihydro-1H-pyridin-4-ylidene]ethylidene]-5-hydroxy-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxymethyl]oxan-2-yl]oxy;2,6-Pyridinedicarboxylicacid,4-[2-[2-carboxy-2,3-dihydro-5-hydroxy-6-[[6-O-[3-(4-hydroxy-3-methoxyphenyl)-1-oxo-2-propenyl]-b;CHEBI:5519;(2S)-1-[(2E)-2-[(2S)-2,6-dicarboxy-2,3-dihydro-1H-pyridin-4-ylidene]ethylidene]-5-hydroxy-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxymethyl]oxan-2-yl]oxy-2,3-dihydroindol-1-ium-2-carboxylate;Gomphrenin-V;DTXSID80422524;16955-52-5;C08547;Q27106789;
标识符
InChIKey:
PZVSGHKONASTEC-WPUGSIMNSA-N
Inchi:
1S/C34H34N2O16/c1-49-24-10-15(2-4-22(24)37)3-5-27(39)50-14-26-28(40)29(41)30(42)34(52-26)51-25-13-20-17(12-23(25)38)11-21(33(47)48)36(20)7-6-16-8-18(31(43)44)35-19(9-16)32(45)46/h2-8,10,12-13,19,21,26,28-30,34,40-42H,9,11,14H2,1H3,(H5,37,38,39,43,44,45,46,47,48)/t19-,21-,26+,28+,29-,30+,34+/m0/s1
SMILES:
O1[C@H]([C@@H]([C@H]([C@@H]([C@H]1COC(/C=C/C1C=CC(=C(C=1)OC)O)=O)O)O)O)OC1C(=CC2=C(C=1)/[N+](=C/C=C1/C=C(C(=O)O)N[C@H](C(=O)O)C/1)/[C@H](C(=O)[O-])C2)O