| Properties | Image |
|---|
| MNX_ID | MNXM73025 |
 |
| reference | chebi:7948 |
| formula | C34H24O22 |
| global charge | 0 |
| mol weight | 784.544 |
| InChIKey | IYMHVUYNBVWXKH-ZITZVVOASA-N |
| InChI | InChI=1S/C34H24O22/c35-10-1-6-15(23(43)19(10)39)16-7(2-11(36)20(40)24(16)44)31(48)54-27-14(5-52-30(6)47)53-34(51)29-28(27)55-32(49)8-3-12(37)21(41)25(45)17(8)18-9(33(50)56-29)4-13(38)22(42)26(18)46/h1-4,14,27-29,34-46,51H,5H2/t14-,27-,28+,29-,34?/m1/s1 |
| SMILES | O=C1O[C@H]2[C@@H]3OC(=O)C4=C(C(O)=C(O)C(O)=C4)C4=C(C=C(O)C(O)=C4O)C(=O)OC[C@H]3OC(O)[C@@H]2OC(=O)C2=C(C(O)=C(O)C(O)=C2)C2=C(O)C(O)=C(O)C=C12 |
MNX internals
| InChI (mnx) | InChI=1/C34H24O22/c35-10-1-6-15(23(43)19(10)39)16-7(2-11(36)20(40)24(16)44)31(48)54-27-14(5-52-30(6)47)53-34(51)29-28(27)55-32(49)8-3-12(37)21(41)25(45)17(8)18-9(33(50)56-29)4-13(38)22(42)26(18)46/h1-4,14,27-29,34-46,51H,5H2/t14-,27-,28+,29-,34?/m1/s1 |
 |
| SMILES (mnx) | [CH:1]1=[C:6]2[C:15](=[C:23]([OH:43])[C:19]([OH:39])=[C:10]1[OH:35])[C:16]1=[C:7]([CH:2]=[C:11]([OH:36])[C:20]([OH:40])=[C:24]1[OH:44])[C:31](=[O:48])[O:54][C@@H:27]1[C@@H:14]([CH2:5][O:52][C:30]2=[O:47])[O:53][CH:34]([OH:51])[C@H:29]2[C@H:28]1[O:55][C:32](=[O:49])[C:8]1=[C:17]([C:18]3=[C:26]([OH:46])[C:22]([OH:42])=[C:13]([OH:38])[CH:4]=[C:9]3[C:33](=[O:50])[O:56]2)[C:25]([OH:45])=[C:21]([OH:41])[C:12]([OH:37])=[CH:3]1 |
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