| Properties | Image |
|---|
| MNX_ID | MNXM12389 |
 |
| reference | keggC:C20136 |
| formula | C27H35ClN2O7 |
| global charge | 0 |
| mol weight | 535.037 |
| InChIKey | LWEZDLMHKGUTCV-BNPWFJPTSA-N |
| InChI | InChI=1S/C27H35ClN2O7/c1-15-7-6-8-23(36-5)27(34)14-22(37-26(33)30-27)17(3)10-16(2)20(31)13-24(32)29-19-11-18(9-15)12-21(35-4)25(19)28/h6-8,10-12,17,20,22-23,31,34H,9,13-14H2,1-5H3,(H,29,32)(H,30,33)/b8-6+,15-7+,16-10+/t17-,20-,22-,23+,27-/m0/s1 |
| SMILES | COC1=CC2=CC(=C1Cl)NC(=O)C[C@H](O)/C(C)=C/[C@H](C)[C@@H]1C[C@@](O)(NC(=O)O1)[C@H](OC)/C=C/C=C(\C)C2 |
MNX internals
| InChI (mnx) | InChI=1/C27H35ClN2O7/c1-15-7-6-8-23(36-5)27(34)14-22(37-26(33)30-27)17(3)10-16(2)20(31)13-24(32)29-19-11-18(9-15)12-21(35-4)25(19)28/h6-8,10-12,17,20,22-23,31,34H,9,13-14H2,1-5H3,(H,29,32)(H,30,33)/b8-6+,15-7+,16-10+/t17-,20-,22-,23+,27-/m0/s1 |
 |
| SMILES (mnx) | [CH3:1]/[C:15]1=[CH:7]\[CH:6]=[CH:8]\[C@@H:23]([O:36][CH3:5])[C@@:27]2([OH:34])[CH2:14][C@@H:22]([C@@H:17]([CH3:3])/[CH:10]=[C:16](\[CH3:2])[C@@H:20]([OH:31])[CH2:13][C:24]([OH:32])=[N:29][C:19]3=[C:25]([Cl:28])[C:21]([O:35][CH3:4])=[CH:12][C:18](=[CH:11]3)[CH2:9]1)[O:37][C:26]([OH:33])=[N:30]2 |
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