| Properties | Image |
|---|
| MNX_ID | MNXM115487 |
 |
| reference | hmdb:HMDB0036320 |
| formula | C36H28O15 |
| global charge | 0 |
| mol weight | 700.605 |
| InChIKey | POVQNEYQMVIEHN-UHFFFAOYSA-N |
| InChI | InChI=1S/C36H28O15/c1-10-3-12-21(14(38)5-10)32(46)24-17(41)7-16(40)23(27(24)29(12)43)26-19(50-36-35(49)34(48)31(45)20(9-37)51-36)8-18(42)25-28(26)30(44)13-4-11(2)6-15(39)22(13)33(25)47/h3-8,20,31,34-42,45,48-49H,9H2,1-2H3 |
| SMILES | CC1=CC(O)=C2C(=O)C3=C(C(=O)C2=C1)C(C1=C2C(=O)C4=C(C(=O)C2=C(O)C=C1O)C(O)=CC(C)=C4)=C(OC1OC(CO)C(O)C(O)C1O)C=C3O |
MNX internals
| InChI (mnx) | InChI=1/C36H28O15/c1-10-3-12-21(14(38)5-10)32(46)24-17(41)7-16(40)23(27(24)29(12)43)26-19(50-36-35(49)34(48)31(45)20(9-37)51-36)8-18(42)25-28(26)30(44)13-4-11(2)6-15(39)22(13)33(25)47/h3-8,20,31,34-42,45,48-49H,9H2,1-2H3/t20?,31?,34?,35?,36? |
 |
| SMILES (mnx) | [CH3:1][C:10]1=[CH:3][C:12]2=[C:21]([C:14]([OH:38])=[CH:5]1)[C:32](=[O:46])[C:24]1=[C:17]([OH:41])[CH:7]=[C:16]([OH:40])[C:23]([C:26]3=[C:19]([O:50][CH:36]4[CH:35]([OH:49])[CH:34]([OH:48])[CH:31]([OH:45])[CH:20]([CH2:9][OH:37])[O:51]4)[CH:8]=[C:18]([OH:42])[C:25]4=[C:28]3[C:30](=[O:44])[C:13]3=[C:22]([C:15]([OH:39])=[CH:6][C:11]([CH3:2])=[CH:4]3)[C:33]4=[O:47])=[C:27]1[C:29]2=[O:43] |
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