| Properties | Image |
|---|
| MNX_ID | MNXM50773 |
 |
| reference | seedM:cpd19624 |
| formula | C22H21O10 |
| global charge | -1 |
| mol weight | 445.4 |
| InChIKey | YJRUVYZQSJVSCI-GNHMSDOPSA-M |
| InChI | InChI=1S/C22H22O10/c1-6-13-9(3-8(31-6)4-12(24)25)18(26)15-16(19(13)27)21(29)17-14(20(15)28)10-5-11(23)22(17,30)7(2)32-10/h6-8,10-11,23,28-30H,3-5H2,1-2H3,(H,24,25)/p-1/t6-,7+,8+,10+,11+,22+/m0/s1 |
| SMILES | C[C@@H]1O[C@@H](CC(=O)[O-])CC2=C1C(=O)C1=C(O)C3=C(C(O)=C1C2=O)[C@H]1C[C@@H](O)[C@]3(O)[C@@H](C)O1 |
MNX internals
| InChI (mnx) | InChI=1/C22H22O10/c1-6-13-9(3-8(31-6)4-12(24)25)18(26)15-16(19(13)27)21(29)17-14(20(15)28)10-5-11(23)22(17,30)7(2)32-10/h6-8,10-11,23,28-30H,3-5H2,1-2H3,(H,24,25)/t6-,7+,8+,10+,11?,22+/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][C@H:6]1[C:13]2=[C:9]([CH2:3][C@H:8]([CH2:4][C:12](=[O:24])[OH:25])[O:31]1)[C:18](=[O:26])[C:15]1=[C:16]([C:19]2=[O:27])[C:21]([OH:29])=[C:17]2[C:14](=[C:20]1[OH:28])[C@H:10]1[CH2:5][C@H:11]([OH:23])[C@:22]2([OH:30])[C@@H:7]([CH3:2])[O:32]1 |
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