| Properties | Image |
|---|
| MNX_ID | MNXM164734 |
 |
| reference | metacycM:CPD-18249 |
| formula | C30H20O12 |
| global charge | 0 |
| mol weight | 572.478 |
| InChIKey | JSHGOHVZGKZMLM-UHFFFAOYSA-N |
| InChI | InChI=1S/C30H20O12/c1-9-5-13(31)19-15(41-9)7-11-17(25(19)35)27(37)21(29(39-3)23(11)33)22-28(38)18-12(24(34)30(22)40-4)8-16-20(26(18)36)14(32)6-10(2)42-16/h5-8,33,35-37H,1-4H3 |
| SMILES | COC1=C(O)C2=CC3=C(C(=O)C=C(C)O3)C(O)=C2C(O)=C1C1=C(OC)C(=O)C2=CC3=C(C(=O)C=C(C)O3)C(O)=C2C1=O |
MNX internals
| InChI (mnx) | InChI=1/C30H20O12/c1-9-5-13(31)19-15(41-9)7-11-17(25(19)35)27(37)21(29(39-3)23(11)33)22-28(38)18-12(24(34)30(22)40-4)8-16-20(26(18)36)14(32)6-10(2)42-16/h5-8,33,35-37H,1-4H3 |
 |
| SMILES (mnx) | [CH3:1][C:9]1=[CH:5][C:13](=[O:31])[C:19]2=[C:15]([CH:7]=[C:11]3[C:17](=[C:25]2[OH:35])[C:27]([OH:37])=[C:21]([C:22]2=[C:30]([O:40][CH3:4])[C:24](=[O:34])[C:12]4=[CH:8][C:16]5=[C:20]([C:14](=[O:32])[CH:6]=[C:10]([CH3:2])[O:42]5)[C:26]([OH:36])=[C:18]4[C:28]2=[O:38])[C:29]([O:39][CH3:3])=[C:23]3[OH:33])[O:41]1 |
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