| Properties | Image |
|---|
| MNX_ID | MNXM148208 |
 |
| reference | metacycM:CPD-17207 |
| formula | C53H72NO15 |
| global charge | -1 |
| mol weight | 963.151 |
| InChIKey | GYOIPHVRAVLBPP-WTLIXQLZSA-M |
| InChI | InChI=1S/C53H73NO15/c1-34-17-14-12-10-8-6-4-5-7-9-11-13-15-18-40(56)29-48-50(52(65)66)47(63)33-53(67,69-48)32-44(60)28-43(59)27-42(58)26-39(55)19-16-20-41(57)30-49(64)68-51(34)36(3)25-35(2)45(61)31-46(62)37-21-23-38(54)24-22-37/h4-15,17-18,21-24,34-36,40,42-45,47-48,50-51,56,58-61,63,67H,16,19-20,25-33,54H2,1-3H3,(H,65,66)/p-1/b5-4+,8-6+,9-7+,12-10+,13-11+,17-14+,18-15+ |
| SMILES | CC1/C=C/C=C/C=C/C=C/C=C/C=C/C=C/C(O)CC2OC(O)(CC(O)CC(O)CC(O)CC(=O)CCCC(=O)CC(=O)OC1C(C)CC(C)C(O)CC(=O)C1=CC=C(N)C=C1)CC(O)C2C(=O)[O-] |
MNX internals
| InChI (mnx) | InChI=1/C53H73NO15/c1-34-17-14-12-10-8-6-4-5-7-9-11-13-15-18-40(56)29-48-50(52(65)66)47(63)33-53(67,69-48)32-44(60)28-43(59)27-42(58)26-39(55)19-16-20-41(57)30-49(64)68-51(34)36(3)25-35(2)45(61)31-46(62)37-21-23-38(54)24-22-37/h4-15,17-18,21-24,34-36,40,42-45,47-48,50-51,56,58-61,63,67H,16,19-20,25-33,54H2,1-3H3,(H,65,66)/b5-4+,8-6+,9-7+,12-10+,13-11+,17-14+,18-15+/t34?,35?,36?,40?,42?,43?,44?,45?,47?,48?,50?,51?,53? |
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| SMILES (mnx) | [CH3:1][CH:34]1/[CH:17]=[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:18]/[CH:40]([OH:56])[CH2:29][CH:48]2[CH:50]([C:52](=[O:65])[OH:66])[CH:47]([OH:63])[CH2:33][C:53]([OH:67])([CH2:32][CH:44]([OH:60])[CH2:28][CH:43]([OH:59])[CH2:27][CH:42]([OH:58])[CH2:26][C:39](=[O:55])[CH2:19][CH2:16][CH2:20][C:41](=[O:57])[CH2:30][C:49](=[O:64])[O:68][CH:51]1[CH:36]([CH3:3])[CH2:25][CH:35]([CH3:2])[CH:45]([CH2:31][C:46]([C:37]1=[CH:22][CH:24]=[C:38]([NH2:54])[CH:23]=[CH:21]1)=[O:62])[OH:61])[O:69]2 |
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