| Properties | Image |
|---|
| MNX_ID | MNXM106484 |
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| reference | chebi:66685 |
| formula | C26H26O12 |
| global charge | 0 |
| mol weight | 530.482 |
| InChIKey | IVILUDSFUSZAPC-HWZJXXSZSA-N |
| InChI | InChI=1S/C26H26O12/c1-26(2)6-5-11-15(38-26)8-14(30)17-19(32)24(37-25-21(34)20(33)18(31)16(9-27)35-25)22(36-23(11)17)10-3-4-12(28)13(29)7-10/h3-8,16,18,20-21,25,27-31,33-34H,9H2,1-2H3/t16-,18-,20+,21-,25+/m1/s1 |
| SMILES | CC1(C)C=CC2=C(C=C(O)C3=C2OC(C2=CC=C(O)C(O)=C2)=C(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C3=O)O1 |
MNX internals
| InChI (mnx) | InChI=1/C26H26O12/c1-26(2)6-5-11-15(38-26)8-14(30)17-19(32)24(37-25-21(34)20(33)18(31)16(9-27)35-25)22(36-23(11)17)10-3-4-12(28)13(29)7-10/h3-8,16,18,20-21,25,27-31,33-34H,9H2,1-2H3/t16-,18-,20+,21-,25+/m1/s1 |
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| SMILES (mnx) | [CH3:1][C:26]1([CH3:2])[CH:6]=[CH:5][C:11]2=[C:15]([CH:8]=[C:14]([OH:30])[C:17]3=[C:23]2[O:36][C:22]([C:10]2=[CH:7][C:13]([OH:29])=[C:12]([OH:28])[CH:4]=[CH:3]2)=[C:24]([O:37][C@H:25]2[C@H:21]([OH:34])[C@@H:20]([OH:33])[C@H:18]([OH:31])[C@@H:16]([CH2:9][OH:27])[O:35]2)[C:19]3=[O:32])[O:38]1 |
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