| Properties | Image |
|---|
| MNX_ID | MNXM114519 |
 |
| reference | metacycM:CPD-14981 |
| formula | C32H30O15 |
| global charge | 0 |
| mol weight | 654.577 |
| InChIKey | ZMFSDFSWZVXOBB-OPULMQKPSA-N |
| InChI | InChI=1S/C32H30O15/c1-42-20-9-14(3-6-17(20)34)4-8-24(37)44-13-23-26(38)28(40)29(41)32(46-23)47-31-27(39)25-19(36)11-16(33)12-22(25)45-30(31)15-5-7-18(35)21(10-15)43-2/h3-12,23,26,28-29,32-36,38,40-41H,13H2,1-2H3/b8-4+/t23-,26-,28+,29-,32+/m1/s1 |
| SMILES | COC1=CC(C2=C(O[C@@H]3O[C@H](COC(=O)/C=C/C4=CC(OC)=C(O)C=C4)[C@@H](O)[C@H](O)[C@H]3O)C(=O)C3=C(O)C=C(O)C=C3O2)=CC=C1O |
MNX internals
| InChI (mnx) | InChI=1/C32H30O15/c1-42-20-9-14(3-6-17(20)34)4-8-24(37)44-13-23-26(38)28(40)29(41)32(46-23)47-31-27(39)25-19(36)11-16(33)12-22(25)45-30(31)15-5-7-18(35)21(10-15)43-2/h3-12,23,26,28-29,32-36,38,40-41H,13H2,1-2H3/b8-4+/t23-,26-,28+,29-,32+/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][O:42][C:20]1=[C:17]([OH:34])[CH:6]=[CH:3][C:14](/[CH:4]=[CH:8]/[C:24](=[O:37])[O:44][CH2:13][C@@H:23]2[C@@H:26]([OH:38])[C@H:28]([OH:40])[C@@H:29]([OH:41])[C@H:32]([O:47][C:31]3=[C:30]([C:15]4=[CH:10][C:21]([O:43][CH3:2])=[C:18]([OH:35])[CH:7]=[CH:5]4)[O:45][C:22]4=[CH:12][C:16]([OH:33])=[CH:11][C:19]([OH:36])=[C:25]4[C:27]3=[O:39])[O:46]2)=[CH:9]1 |
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