| Properties | Image |
|---|
| MNX_ID | MNXM147379 |
 |
| reference | metacycM:CPD-15192 |
| formula | C38H56NO3 |
| global charge | -1 |
| mol weight | 574.87 |
| InChIKey | DNPLRSNKHVWUBM-FRICUITQSA-M |
| InChI | InChI=1S/C38H57NO3/c1-28(2)14-9-15-29(3)16-10-17-30(4)18-11-19-31(5)20-12-21-32(6)22-13-23-33(7)24-25-34-26-35(38(40)41)27-36(42-8)37(34)39/h14,16,18,20,22,24,26-27H,9-13,15,17,19,21,23,25,39H2,1-8H3,(H,40,41)/p-1/b29-16+,30-18+,31-20+,32-22+,33-24+ |
| SMILES | COC1=C(N)C(C/C=C(\C)CC/C=C(\C)CC/C=C(\C)CC/C=C(\C)CC/C=C(\C)CCC=C(C)C)=CC(C(=O)[O-])=C1 |
MNX internals
| InChI (mnx) | InChI=1/C38H57NO3/c1-28(2)14-9-15-29(3)16-10-17-30(4)18-11-19-31(5)20-12-21-32(6)22-13-23-33(7)24-25-34-26-35(38(40)41)27-36(42-8)37(34)39/h14,16,18,20,22,24,26-27H,9-13,15,17,19,21,23,25,39H2,1-8H3,(H,40,41)/b29-16+,30-18+,31-20+,32-22+,33-24+ |
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| SMILES (mnx) | [CH3:1][C:28]([CH3:2])=[CH:14][CH2:9][CH2:15]/[C:29]([CH3:3])=[CH:16]/[CH2:10][CH2:17]/[C:30]([CH3:4])=[CH:18]/[CH2:11][CH2:19]/[C:31]([CH3:5])=[CH:20]/[CH2:12][CH2:21]/[C:32]([CH3:6])=[CH:22]/[CH2:13][CH2:23]/[C:33]([CH3:7])=[CH:24]/[CH2:25][C:34]1=[CH:26][C:35]([C:38](=[O:40])[OH:41])=[CH:27][C:36]([O:42][CH3:8])=[C:37]1[NH2:39] |
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