| Properties | Image |
|---|
| MNX_ID | MNXM147445 |
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| reference | metacycM:CPD-17193 |
| formula | C53H75NO12 |
| global charge | 0 |
| mol weight | 918.178 |
| InChIKey | VZYPUEFMSNXJKB-FHYPROHVSA-N |
| InChI | InChI=1S/C53H75NO12/c1-36-19-15-13-11-9-7-5-6-8-10-12-14-16-20-44(57)31-50-39(4)49(62)35-53(64,66-50)34-46(59)30-43(56)23-17-21-42(55)22-18-24-45(58)32-51(63)65-52(36)38(3)29-37(2)47(60)33-48(61)40-25-27-41(54)28-26-40/h5-16,19-20,25-28,36-39,43-44,46-47,49-50,52,56-57,59-60,62,64H,17-18,21-24,29-35,54H2,1-4H3/b6-5+,9-7+,10-8+,13-11+,14-12+,19-15+,20-16+ |
| 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 |
MNX internals
| InChI (mnx) | InChI=1/C53H75NO12/c1-36-19-15-13-11-9-7-5-6-8-10-12-14-16-20-44(57)31-50-39(4)49(62)35-53(64,66-50)34-46(59)30-43(56)23-17-21-42(55)22-18-24-45(58)32-51(63)65-52(36)38(3)29-37(2)47(60)33-48(61)40-25-27-41(54)28-26-40/h5-16,19-20,25-28,36-39,43-44,46-47,49-50,52,56-57,59-60,62,64H,17-18,21-24,29-35,54H2,1-4H3/b6-5+,9-7+,10-8+,13-11+,14-12+,19-15+,20-16+/t36?,37?,38?,39?,43?,44?,46?,47?,49?,50?,52?,53? |
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| SMILES (mnx) | [CH3:1][CH:36]1/[CH:19]=[CH:15]/[CH:13]=[CH:11]/[CH:9]=[CH:7]/[CH:5]=[CH:6]/[CH:8]=[CH:10]/[CH:12]=[CH:14]/[CH:16]=[CH:20]/[CH:44]([OH:57])[CH2:31][CH:50]2[CH:39]([CH3:4])[CH:49]([OH:62])[CH2:35][C:53]([OH:64])([CH2:34][CH:46]([OH:59])[CH2:30][CH:43]([OH:56])[CH2:23][CH2:17][CH2:21][C:42](=[O:55])[CH2:22][CH2:18][CH2:24][C:45](=[O:58])[CH2:32][C:51](=[O:63])[O:65][CH:52]1[CH:38]([CH3:3])[CH2:29][CH:37]([CH3:2])[CH:47]([CH2:33][C:48]([C:40]1=[CH:26][CH:28]=[C:41]([NH2:54])[CH:27]=[CH:25]1)=[O:61])[OH:60])[O:66]2 |
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