| Properties | Image |
|---|
| MNX_ID | MNXM1195951 |
 |
| reference | envipathM:...c973005a5844 |
| formula | C32H25O17 |
| global charge | -3 |
| mol weight | 681.535 |
| InChIKey | ZFGZDMXWZNXZON-YQKSTVKISA-K |
| InChI | InChI=1S/C32H28O17/c1-9-21-14(2-10(48-9)4-19(36)37)28(42)24(31(45)30(21)44)17(35)7-13(32(46)47)12-6-16(34)23-25(26(12)40)29(43)22-15(27(23)41)3-11(5-20(38)39)49-18(22)8-33/h6-7,9-11,18,33,41-45H,2-5,8H2,1H3,(H,36,37)(H,38,39)(H,46,47)/p-3/b13-7-/t9-,10+,11+,18-/m1/s1 |
| SMILES | C[C@H]1O[C@H](CC(=O)[O-])CC2=C(O)C(C(=O)/C=C(\C(=O)[O-])C3=CC(=O)C4=C(C3=O)C(O)=C3C(=C4O)C[C@@H](CC(=O)[O-])O[C@@H]3CO)=C(O)C(O)=C21 |
MNX internals
| InChI (mnx) | InChI=1/C32H28O17/c1-9-21-14(2-10(48-9)4-19(36)37)28(42)24(31(45)30(21)44)17(35)7-13(32(46)47)12-6-16(34)23-25(26(12)40)29(43)22-15(27(23)41)3-11(5-20(38)39)49-18(22)8-33/h6-7,9-11,18,33,41-45H,2-5,8H2,1H3,(H,36,37)(H,38,39)(H,46,47)/b13-7-/t9-,10+,11+,18-/m1/s1 |
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| SMILES (mnx) | [CH3:1][C@@H:9]1[C:21]2=[C:14]([CH2:2][C@@H:10]([CH2:4][C:19](=[O:36])[OH:37])[O:48]1)[C:28]([OH:42])=[C:24]([C:17](/[CH:7]=[C:13](/[C:12]1=[CH:6][C:16](=[O:34])[C:23]3=[C:27]([OH:41])[C:15]4=[C:22]([C@@H:18]([CH2:8][OH:33])[O:49][C@H:11]([CH2:5][C:20](=[O:38])[OH:39])[CH2:3]4)[C:29]([OH:43])=[C:25]3[C:26]1=[O:40])[C:32](=[O:46])[OH:47])=[O:35])[C:31]([OH:45])=[C:30]2[OH:44] |
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