| Properties | Image |
|---|
| MNX_ID | MNXM120539 |
 |
| reference | chebi:140763 |
| formula | C30H30O14 |
| global charge | 0 |
| mol weight | 614.556 |
| InChIKey | VQTJQDXXZTXQEJ-UHFFFAOYSA-N |
| InChI | InChI=1S/C30H30O14/c31-10-22-25(38)26(39)27(40)30(43-22)42-21-9-20-14(7-19(36)28(41-20)12-2-4-16(33)18(35)6-12)29-24(21)13(8-23(37)44-29)11-1-3-15(32)17(34)5-11/h1-6,9,13,19,22,25-28,30-36,38-40H,7-8,10H2 |
| SMILES | O=C1CC(C2=CC(O)=C(O)C=C2)C2=C(O1)C1=C(C=C2OC2OC(CO)C(O)C(O)C2O)OC(C2=CC(O)=C(O)C=C2)C(O)C1 |
MNX internals
| InChI (mnx) | InChI=1/C30H30O14/c31-10-22-25(38)26(39)27(40)30(43-22)42-21-9-20-14(7-19(36)28(41-20)12-2-4-16(33)18(35)6-12)29-24(21)13(8-23(37)44-29)11-1-3-15(32)17(34)5-11/h1-6,9,13,19,22,25-28,30-36,38-40H,7-8,10H2/t13?,19?,22?,25?,26?,27?,28?,30? |
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| SMILES (mnx) | [CH:1]1=[CH:3][C:15]([OH:32])=[C:17]([OH:34])[CH:5]=[C:11]1[CH:13]1[CH2:8][C:23](=[O:37])[O:44][C:29]2=[C:14]3[CH2:7][CH:19]([OH:36])[CH:28]([C:12]4=[CH:6][C:18]([OH:35])=[C:16]([OH:33])[CH:4]=[CH:2]4)[O:41][C:20]3=[CH:9][C:21]([O:42][CH:30]3[CH:27]([OH:40])[CH:26]([OH:39])[CH:25]([OH:38])[CH:22]([CH2:10][OH:31])[O:43]3)=[C:24]12 |
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