| Properties | Image |
|---|
| MNX_ID | MNXM7201 |
 |
| reference | chebi:31433 |
| formula | C27H21N3O10 |
| global charge | 0 |
| mol weight | 547.476 |
| InChIKey | KUACUXAJPDYURP-UHFFFAOYSA-N |
| InChI | InChI=1S/C27H21N3O10/c1-9-14(24(35)29-18-20(33)12-4-6-15(31)10(2)22(12)39-26(18)37)8-28-17(9)25(36)30-19-21(34)13-5-7-16(32)11(3)23(13)40-27(19)38/h4-8,28,31-34H,1-3H3,(H,29,35)(H,30,36) |
| SMILES | CC1=C(C(=O)NC2=C(O)C3=CC=C(O)C(C)=C3OC2=O)NC=C1C(=O)NC1=C(O)C2=CC=C(O)C(C)=C2OC1=O |
MNX internals
| InChI (mnx) | InChI=1/C27H21N3O10/c1-9-14(24(35)29-18-20(33)12-4-6-15(31)10(2)22(12)39-26(18)37)8-28-17(9)25(36)30-19-21(34)13-5-7-16(32)11(3)23(13)40-27(19)38/h4-8,28,31-34H,1-3H3,(H,29,35)(H,30,36) |
 |
| SMILES (mnx) | [CH3:1][C:9]1=[C:17]([C:25](=[N:30][C:19]2=[C:21]([OH:34])[C:13]3=[C:23]([C:11]([CH3:3])=[C:16]([OH:32])[CH:7]=[CH:5]3)[O:40][C:27]2=[O:38])[OH:36])[NH:28][CH:8]=[C:14]1[C:24](=[N:29][C:18]1=[C:20]([OH:33])[C:12]2=[C:22]([C:10]([CH3:2])=[C:15]([OH:31])[CH:6]=[CH:4]2)[O:39][C:26]1=[O:37])[OH:35] |
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