| Properties | Image |
|---|
| MNX_ID | MNXM127265 |
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| reference | hmdb:HMDB0032762 |
| formula | C27H34O18 |
| global charge | 0 |
| mol weight | 646.551 |
| InChIKey | QDZRWBGIKIHOHH-UHFFFAOYSA-N |
| InChI | InChI=1S/C27H34O18/c28-5-13-17(35)18(36)20(38)26(42-13)44-24-14(6-29)43-27(21(39)19(24)37)45-25-15-9(31)3-8(30)4-12(15)41-23(22(25)40)7-1-10(32)16(34)11(33)2-7/h1-4,13-14,17-40H,5-6H2 |
| SMILES | OCC1OC(OC2C(CO)OC(OC3C4=C(O)C=C(O)C=C4OC(C4=CC(O)=C(O)C(O)=C4)C3O)C(O)C2O)C(O)C(O)C1O |
MNX internals
| InChI (mnx) | InChI=1/C27H34O18/c28-5-13-17(35)18(36)20(38)26(42-13)44-24-14(6-29)43-27(21(39)19(24)37)45-25-15-9(31)3-8(30)4-12(15)41-23(22(25)40)7-1-10(32)16(34)11(33)2-7/h1-4,13-14,17-40H,5-6H2/t13?,14?,17?,18?,19?,20?,21?,22?,23?,24?,25?,26?,27? |
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| SMILES (mnx) | [CH:1]1=[C:7]([CH:23]2[CH:22]([OH:40])[CH:25]([O:45][CH:27]3[CH:21]([OH:39])[CH:19]([OH:37])[CH:24]([O:44][CH:26]4[CH:20]([OH:38])[CH:18]([OH:36])[CH:17]([OH:35])[CH:13]([CH2:5][OH:28])[O:42]4)[CH:14]([CH2:6][OH:29])[O:43]3)[C:15]3=[C:9]([OH:31])[CH:3]=[C:8]([OH:30])[CH:4]=[C:12]3[O:41]2)[CH:2]=[C:11]([OH:33])[C:16]([OH:34])=[C:10]1[OH:32] |
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