| Properties | Image |
|---|
| MNX_ID | MNXM147694 |
 |
| reference | metacycM:CPD-17209 |
| formula | C53H73NO13 |
| global charge | 0 |
| mol weight | 932.161 |
| InChIKey | ADKZMEDCBQEYIF-YERMFOBOSA-N |
| InChI | InChI=1S/C53H73NO13/c1-36-18-14-12-10-8-6-4-5-7-9-11-13-15-19-43(58)30-50-46(35-55)49(63)34-53(65,67-50)33-45(60)29-42(57)22-16-20-41(56)21-17-23-44(59)31-51(64)66-52(36)38(3)28-37(2)47(61)32-48(62)39-24-26-40(54)27-25-39/h4-15,18-19,24-27,35-38,42-43,45-47,49-50,52,57-58,60-61,63,65H,16-17,20-23,28-34,54H2,1-3H3/b5-4+,8-6+,9-7+,12-10+,13-11+,18-14+,19-15+ |
| SMILES | CC1/C=C/C=C/C=C/C=C/C=C/C=C/C=C/C(O)CC2OC(O)(CC(O)CC(O)CCCC(=O)CCCC(=O)CC(=O)OC1C(C)CC(C)C(O)CC(=O)C1=CC=C(N)C=C1)CC(O)C2C=O |
MNX internals
| InChI (mnx) | InChI=1/C53H73NO13/c1-36-18-14-12-10-8-6-4-5-7-9-11-13-15-19-43(58)30-50-46(35-55)49(63)34-53(65,67-50)33-45(60)29-42(57)22-16-20-41(56)21-17-23-44(59)31-51(64)66-52(36)38(3)28-37(2)47(61)32-48(62)39-24-26-40(54)27-25-39/h4-15,18-19,24-27,35-38,42-43,45-47,49-50,52,57-58,60-61,63,65H,16-17,20-23,28-34,54H2,1-3H3/b5-4+,8-6+,9-7+,12-10+,13-11+,18-14+,19-15+/t36?,37?,38?,42?,43?,45?,46?,47?,49?,50?,52?,53? |
 |
| SMILES (mnx) | [CH3:1][CH:36]1/[CH:18]=[CH:14]/[CH:12]=[CH:10]/[CH:8]=[CH:6]/[CH:4]=[CH:5]/[CH:7]=[CH:9]/[CH:11]=[CH:13]/[CH:15]=[CH:19]/[CH:43]([OH:58])[CH2:30][CH:50]2[CH:46]([CH:35]=[O:55])[CH:49]([OH:63])[CH2:34][C:53]([OH:65])([CH2:33][CH:45]([OH:60])[CH2:29][CH:42]([OH:57])[CH2:22][CH2:16][CH2:20][C:41](=[O:56])[CH2:21][CH2:17][CH2:23][C:44](=[O:59])[CH2:31][C:51](=[O:64])[O:66][CH:52]1[CH:38]([CH3:3])[CH2:28][CH:37]([CH3:2])[CH:47]([CH2:32][C:48]([C:39]1=[CH:25][CH:27]=[C:40]([NH2:54])[CH:26]=[CH:24]1)=[O:62])[OH:61])[O:67]2 |
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