| Properties | Image |
|---|
| MNX_ID | MNXM1371499 |
 |
| reference | hmdb:HMDB0037980 |
| formula | C32H39O20 |
| global charge | 1 |
| mol weight | 743.644 |
| InChIKey | OLBLWNPOURNBCY-UHFFFAOYSA-O |
| InChI | InChI=1S/C32H38O20/c33-7-19-22(40)24(42)27(45)31(50-19)48-17-5-11(35)4-16-12(17)6-18(28(47-16)10-1-2-13(36)14(37)3-10)49-32-29(25(43)23(41)20(8-34)51-32)52-30-26(44)21(39)15(38)9-46-30/h1-6,15,19-27,29-34,38-45H,7-9H2,(H2-,35,36,37)/p+1 |
| SMILES | OCC1OC(OC2=CC(O)=CC3=C2C=C(OC2OC(CO)C(O)C(O)C2OC2OCC(O)C(O)C2O)C(C2=CC(O)=C(O)C=C2)=[O+]3)C(O)C(O)C1O |
MNX internals
| InChI (mnx) | InChI=1/C32H38O20/c33-7-19-22(40)24(42)27(45)31(50-19)48-17-5-11(35)4-16-12(17)6-18(28(47-16)10-1-2-13(36)14(37)3-10)49-32-29(25(43)23(41)20(8-34)51-32)52-30-26(44)21(39)15(38)9-46-30/h1-6,15,19-27,29-34,38-45H,7-9H2,(H2-,35,36,37)/t15?,19?,20?,21?,22?,23?,24?,25?,26?,27?,29?,30?,31?,32? |
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| SMILES (mnx) | [CH:1]1=[CH:2][C:13]([OH:36])=[C:14]([O-:37])[CH:3]=[C:10]1[C:28]1=[O+:47][C:16]2=[C:12]([CH:6]=[C:18]1[O:49][CH:32]1[CH:29]([O:52][CH:30]3[CH:26]([OH:44])[CH:21]([OH:39])[CH:15]([OH:38])[CH2:9][O:46]3)[CH:25]([OH:43])[CH:23]([OH:41])[CH:20]([CH2:8][OH:34])[O:51]1)[C:17]([O:48][CH:31]1[CH:27]([OH:45])[CH:24]([OH:42])[CH:22]([OH:40])[CH:19]([CH2:7][OH:33])[O:50]1)=[CH:5][C:11]([OH:35])=[CH:4]2 |
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