| Properties | Image |
|---|
| MNX_ID | MNXM108572 |
 |
| reference | chebi:68332 |
| formula | C30H26O13 |
| global charge | 0 |
| mol weight | 594.525 |
| InChIKey | KQBOEJCDGYYZJZ-ITCYIJQVSA-N |
| InChI | InChI=1S/C30H26O13/c31-12-1-2-13-22(7-12)42-29(11-5-19(36)26(40)20(37)6-11)27(41)23(13)24-16(33)9-15(32)14-8-21(38)28(43-30(14)24)10-3-17(34)25(39)18(35)4-10/h1-7,9,21,23,27-29,31-41H,8H2/t21-,23-,27-,28+,29+/m0/s1 |
| SMILES | OC1=CC=C2C(=C1)O[C@H](C1=CC(O)=C(O)C(O)=C1)[C@@H](O)[C@@H]2C1=C2O[C@H](C3=CC(O)=C(O)C(O)=C3)[C@@H](O)CC2=C(O)C=C1O |
MNX internals
| InChI (mnx) | InChI=1/C30H26O13/c31-12-1-2-13-22(7-12)42-29(11-5-19(36)26(40)20(37)6-11)27(41)23(13)24-16(33)9-15(32)14-8-21(38)28(43-30(14)24)10-3-17(34)25(39)18(35)4-10/h1-7,9,21,23,27-29,31-41H,8H2/t21-,23-,27-,28+,29+/m0/s1 |
 |
| SMILES (mnx) | [CH:1]1=[CH:2][C:13]2=[C:22]([CH:7]=[C:12]1[OH:31])[O:42][C@H:29]([C:11]1=[CH:5][C:19]([OH:36])=[C:26]([OH:40])[C:20]([OH:37])=[CH:6]1)[C@@H:27]([OH:41])[C@@H:23]2[C:24]1=[C:16]([OH:33])[CH:9]=[C:15]([OH:32])[C:14]2=[C:30]1[O:43][C@H:28]([C:10]1=[CH:3][C:17]([OH:34])=[C:25]([OH:39])[C:18]([OH:35])=[CH:4]1)[C@@H:21]([OH:38])[CH2:8]2 |
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