| Properties | Image |
|---|
| MNX_ID | MNXM105472 |
 |
| reference | chebi:65985 |
| formula | C35H30O10 |
| global charge | 0 |
| mol weight | 610.615 |
| InChIKey | MCJGDQGGKNEZHE-VVSMDZRYSA-N |
| InChI | InChI=1S/C35H30O10/c1-16-8-24(20-5-2-17(36)10-27(20)39)34(35(44)22-7-4-18(37)11-28(22)40)25(9-16)23-13-26(30(42)14-29(23)41)33-15-31(43)21-6-3-19(38)12-32(21)45-33/h2-7,9-14,24-25,33-34,36-42H,8,15H2,1H3/t24-,25+,33+,34-/m1/s1 |
| SMILES | CC1=C[C@@H](C2=C(O)C=C(O)C([C@@H]3CC(=O)C4=C(C=C(O)C=C4)O3)=C2)[C@H](C(=O)C2=C(O)C=C(O)C=C2)[C@@H](C2=C(O)C=C(O)C=C2)C1 |
MNX internals
| InChI (mnx) | InChI=1/C35H30O10/c1-16-8-24(20-5-2-17(36)10-27(20)39)34(35(44)22-7-4-18(37)11-28(22)40)25(9-16)23-13-26(30(42)14-29(23)41)33-15-31(43)21-6-3-19(38)12-32(21)45-33/h2-7,9-14,24-25,33-34,36-42H,8,15H2,1H3/t24-,25+,33+,34-/m1/s1 |
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| SMILES (mnx) | [CH3:1][C:16]1=[CH:9][C@@H:25]([C:23]2=[CH:13][C:26]([C@@H:33]3[CH2:15][C:31](=[O:43])[C:21]4=[C:32]([CH:12]=[C:19]([OH:38])[CH:3]=[CH:6]4)[O:45]3)=[C:30]([OH:42])[CH:14]=[C:29]2[OH:41])[C@H:34]([C:35]([C:22]2=[C:28]([OH:40])[CH:11]=[C:18]([OH:37])[CH:4]=[CH:7]2)=[O:44])[C@@H:24]([C:20]2=[C:27]([OH:39])[CH:10]=[C:17]([OH:36])[CH:2]=[CH:5]2)[CH2:8]1 |
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