| Properties | Image |
|---|
| MNX_ID | MNXM164778 |
 |
| reference | metacycM:CPD-18248 |
| formula | C30H20O11 |
| global charge | 0 |
| mol weight | 556.479 |
| InChIKey | IYXVLWPSMYUNNQ-UHFFFAOYSA-N |
| InChI | InChI=1S/C30H20O11/c1-10-5-14(31)21-17(40-10)8-12-7-16(38-3)23(27(35)19(12)26(21)34)24-29(37)20-13(25(33)30(24)39-4)9-18-22(28(20)36)15(32)6-11(2)41-18/h5-9,34-36H,1-4H3 |
| SMILES | COC1=CC2=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/C30H20O11/c1-10-5-14(31)21-17(40-10)8-12-7-16(38-3)23(27(35)19(12)26(21)34)24-29(37)20-13(25(33)30(24)39-4)9-18-22(28(20)36)15(32)6-11(2)41-18/h5-9,34-36H,1-4H3 |
 |
| SMILES (mnx) | [CH3:1][C:10]1=[CH:5][C:14](=[O:31])[C:21]2=[C:17]([CH:8]=[C:12]3[CH:7]=[C:16]([O:38][CH3:3])[C:23]([C:24]4=[C:30]([O:39][CH3:4])[C:25](=[O:33])[C:13]5=[CH:9][C:18]6=[C:22]([C:15](=[O:32])[CH:6]=[C:11]([CH3:2])[O:41]6)[C:28]([OH:36])=[C:20]5[C:29]4=[O:37])=[C:27]([OH:35])[C:19]3=[C:26]2[OH:34])[O:40]1 |
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