| Properties | Image |
|---|
| MNX_ID | MNXM147746 |
 |
| reference | metacycM:CPD-18072 |
| formula | C31H54NO7 |
| global charge | 1 |
| mol weight | 552.773 |
| InChIKey | JXDJMMZRVGWZJB-KBQANNOCSA-O |
| InChI | InChI=1S/C31H53NO7/c1-10-23-15-19(4)25(33)13-12-18(3)14-20(5)27(11-2)38-28(35)17-26(34)22(7)30(23)39-31-29(36)24(32(8)9)16-21(6)37-31/h12-14,19-24,26-27,29-31,34,36H,10-11,15-17H2,1-9H3/p+1/b13-12+,18-14+/t19-,20+,21-,22+,23+,24+,26-,27-,29-,30-,31-/m1/s1 |
| SMILES | CC[C@H]1C[C@@H](C)C(=O)/C=C/C(C)=C/[C@H](C)[C@@H](CC)OC(=O)C[C@@H](O)[C@H](C)[C@H]1O[C@H]1O[C@H](C)C[C@H]([NH+](C)C)[C@H]1O |
MNX internals
| InChI (mnx) | InChI=1/C31H53NO7/c1-10-23-15-19(4)25(33)13-12-18(3)14-20(5)27(11-2)38-28(35)17-26(34)22(7)30(23)39-31-29(36)24(32(8)9)16-21(6)37-31/h12-14,19-24,26-27,29-31,34,36H,10-11,15-17H2,1-9H3/b13-12+,18-14+/t19-,20+,21-,22+,23+,24+,26-,27-,29-,30-,31-/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][CH2:10][C@H:23]1[CH2:15][C@@H:19]([CH3:4])[C:25](=[O:33])/[CH:13]=[CH:12]/[C:18]([CH3:3])=[CH:14]/[C@H:20]([CH3:5])[C@@H:27]([CH2:11][CH3:2])[O:38][C:28](=[O:35])[CH2:17][C@@H:26]([OH:34])[C@H:22]([CH3:7])[C@H:30]1[O:39][C@@H:31]1[C@H:29]([OH:36])[C@@H:24]([N:32]([CH3:8])[CH3:9])[CH2:16][C@@H:21]([CH3:6])[O:37]1 |
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