| Properties | Image |
|---|
| MNX_ID | MNXM106755 |
 |
| reference | chebi:66397 |
| formula | C30H30O11 |
| global charge | 0 |
| mol weight | 566.559 |
| InChIKey | YSURVZRGQKOUAG-QXBVHLSASA-N |
| InChI | InChI=1S/C30H30O11/c1-12-7-19-24(17(33)11-30(4,41-19)28-15(31)9-21(35)39-28)26(37)22(12)14-5-6-18-23(25(14)36)16(32)10-29(3,40-18)27-13(2)8-20(34)38-27/h5-7,13,15,27-28,31,36-37H,8-11H2,1-4H3/t13-,15+,27+,28+,29+,30-/m0/s1 |
| SMILES | CC1=CC2=C(C(=O)C[C@@](C)([C@@H]3OC(=O)C[C@H]3O)O2)C(O)=C1C1=C(O)C2=C(C=C1)O[C@@](C)([C@@H]1OC(=O)C[C@@H]1C)CC2=O |
MNX internals
| InChI (mnx) | InChI=1/C30H30O11/c1-12-7-19-24(17(33)11-30(4,41-19)28-15(31)9-21(35)39-28)26(37)22(12)14-5-6-18-23(25(14)36)16(32)10-29(3,40-18)27-13(2)8-20(34)38-27/h5-7,13,15,27-28,31,36-37H,8-11H2,1-4H3/t13-,15+,27+,28+,29+,30-/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][C:12]1=[CH:7][C:19]2=[C:24]([C:17](=[O:33])[CH2:11][C@@:30]([CH3:4])([C@H:28]3[C@H:15]([OH:31])[CH2:9][C:21](=[O:35])[O:39]3)[O:41]2)[C:26]([OH:37])=[C:22]1[C:14]1=[C:25]([OH:36])[C:23]2=[C:18]([CH:6]=[CH:5]1)[O:40][C@@:29]([CH3:3])([C@H:27]1[C@@H:13]([CH3:2])[CH2:8][C:20](=[O:34])[O:38]1)[CH2:10][C:16]2=[O:32] |
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