| Properties | Image |
|---|
| MNX_ID | MNXM1104975 |
 |
| reference | metacycM:CPD-17432 |
| formula | C32H38N2O5 |
| global charge | 0 |
| mol weight | 530.665 |
| InChIKey | SRTKOCMGVNIWFH-AHUHYEDWSA-N |
| InChI | InChI=1S/C32H38N2O5/c1-17-8-7-10-22-29-31(4,39-29)19(3)27-24(15-20-16-33-23-11-6-5-9-21(20)23)34-30(38)32(22,27)26(36)13-12-25(35)28(37)18(2)14-17/h5-7,9-14,16-17,19,22,24-25,27-29,33,35,37H,8,15H2,1-4H3,(H,34,38)/b10-7+,13-12+,18-14+/t17-,19-,22-,24-,25-,27-,28+,29-,31+,32+/m0/s1 |
| SMILES | C/C1=C\[C@@H](C)C/C=C/[C@H]2[C@@H]3O[C@]3(C)[C@@H](C)[C@H]3[C@H](CC4=CNC5=CC=CC=C45)NC(=O)[C@]32C(=O)/C=C/[C@H](O)[C@@H]1O |
MNX internals
| InChI (mnx) | InChI=1/C32H38N2O5/c1-17-8-7-10-22-29-31(4,39-29)19(3)27-24(15-20-16-33-23-11-6-5-9-21(20)23)34-30(38)32(22,27)26(36)13-12-25(35)28(37)18(2)14-17/h5-7,9-14,16-17,19,22,24-25,27-29,33,35,37H,8,15H2,1-4H3,(H,34,38)/b10-7+,13-12+,18-14+/t17-,19-,22-,24-,25-,27-,28+,29-,31+,32+/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][C@H:17]1[CH2:8]/[CH:7]=[CH:10]/[C@H:22]2[C@H:29]3[C@@:31]([CH3:4])([C@@H:19]([CH3:3])[C@H:27]4[C@H:24]([CH2:15][C:20]5=[CH:16][NH:33][C:23]6=[CH:11][CH:6]=[CH:5][CH:9]=[C:21]56)[N:34]=[C:30]([OH:38])[C@@:32]24[C:26](=[O:36])/[CH:13]=[CH:12]/[C@H:25]([OH:35])[C@H:28]([OH:37])/[C:18]([CH3:2])=[CH:14]/1)[O:39]3 |
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