| Properties | Image |
|---|
| MNX_ID | MNXM147367 |
 |
| reference | metacycM:CPD-17210 |
| formula | C53H72NO14 |
| global charge | -1 |
| mol weight | 947.152 |
| InChIKey | ITSANPHVODIHLR-YERMFOBOSA-M |
| InChI | InChI=1S/C53H73NO14/c1-35-18-14-12-10-8-6-4-5-7-9-11-13-15-19-42(57)30-48-50(52(64)65)47(62)34-53(66,68-48)33-44(59)29-41(56)22-16-20-40(55)21-17-23-43(58)31-49(63)67-51(35)37(3)28-36(2)45(60)32-46(61)38-24-26-39(54)27-25-38/h4-15,18-19,24-27,35-37,41-42,44-45,47-48,50-51,56-57,59-60,62,66H,16-17,20-23,28-34,54H2,1-3H3,(H,64,65)/p-1/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)[O-] |
MNX internals
| InChI (mnx) | InChI=1/C53H73NO14/c1-35-18-14-12-10-8-6-4-5-7-9-11-13-15-19-42(57)30-48-50(52(64)65)47(62)34-53(66,68-48)33-44(59)29-41(56)22-16-20-40(55)21-17-23-43(58)31-49(63)67-51(35)37(3)28-36(2)45(60)32-46(61)38-24-26-39(54)27-25-38/h4-15,18-19,24-27,35-37,41-42,44-45,47-48,50-51,56-57,59-60,62,66H,16-17,20-23,28-34,54H2,1-3H3,(H,64,65)/b5-4+,8-6+,9-7+,12-10+,13-11+,18-14+,19-15+/t35?,36?,37?,41?,42?,44?,45?,47?,48?,50?,51?,53? |
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| SMILES (mnx) | [CH3:1][CH:35]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:42]([OH:57])[CH2:30][CH:48]2[CH:50]([C:52](=[O:64])[OH:65])[CH:47]([OH:62])[CH2:34][C:53]([OH:66])([CH2:33][CH:44]([OH:59])[CH2:29][CH:41]([OH:56])[CH2:22][CH2:16][CH2:20][C:40](=[O:55])[CH2:21][CH2:17][CH2:23][C:43](=[O:58])[CH2:31][C:49](=[O:63])[O:67][CH:51]1[CH:37]([CH3:3])[CH2:28][CH:36]([CH3:2])[CH:45]([CH2:32][C:46]([C:38]1=[CH:25][CH:27]=[C:39]([NH2:54])[CH:26]=[CH:24]1)=[O:61])[OH:60])[O:68]2 |
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