| Properties | Image |
|---|
| MNX_ID | MNXM164736 |
 |
| reference | metacycM:CPD-18247 |
| formula | C30H22O11 |
| global charge | 0 |
| mol weight | 558.495 |
| InChIKey | NLGXJQVKDXFHON-UHFFFAOYSA-N |
| InChI | InChI=1S/C30H22O11/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/h5-9,33-37H,1-4H3 |
| SMILES | COC1=CC2=CC3=C(C(=O)C=C(C)O3)C(O)=C2C(O)=C1C1=C(O)C2=C(O)C3=C(C=C2C(O)=C1OC)OC(C)=CC3=O |
MNX internals
| InChI (mnx) | InChI=1/C30H22O11/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/h5-9,33-37H,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:29]([OH:37])[C:20]5=[C:28]([OH:36])[C:22]6=[C:18]([CH:9]=[C:13]5[C:25]([OH:33])=[C:30]4[O:39][CH3:4])[O:41][C:11]([CH3:2])=[CH:6][C:15]6=[O:32])=[C:27]([OH:35])[C:19]3=[C:26]2[OH:34])[O:40]1 |
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