| Properties | Image |
|---|
| MNX_ID | MNXM106506 |
 |
| reference | chebi:66688 |
| formula | C62H97NO15 |
| global charge | 0 |
| mol weight | 1096.45 |
| InChIKey | NVVJCDZZKMPNHL-LMFUHVRBSA-N |
| InChI | InChI=1S/C62H97NO15/c1-45(27-19-15-11-10-12-16-20-28-46(2)62(77)78)61(76)48(4)59(74)37-22-18-14-9-7-5-6-8-13-17-21-36-58(73)47(3)60(75)44-57(72)43-54(69)34-25-33-53(68)42-56(71)41-52(67)32-24-31-50(65)39-49(64)29-23-30-51(66)40-55(70)35-26-38-63/h5-10,12-14,16-25,27-29,32,34,37,45,47-59,61,64-74,76H,11,15,26,30-31,33,35-36,38-44,63H2,1-4H3,(H,77,78)/b6-5+,9-7+,12-10+,13-8+,18-14+,20-16+,21-17+,27-19+,29-23+,32-24+,34-25+,37-22+,46-28+/t45?,47?,48-,49+,50+,51+,52+,53-,54+,55-,56-,57+,58?,59+,61-/m0/s1 |
| SMILES | C/C(=C\C=C\C=C\CC/C=C/C(C)[C@H](O)[C@@H](C)[C@H](O)/C=C/C=C/C=C/C=C/C=C/C=C/CC(O)C(C)C(=O)C[C@H](O)C[C@H](O)/C=C/C[C@H](O)C[C@@H](O)C[C@H](O)/C=C/C[C@@H](O)C[C@H](O)/C=C/C[C@@H](O)C[C@@H](O)CCCN)C(=O)O |
MNX internals
| InChI (mnx) | InChI=1/C62H97NO15/c1-45(27-19-15-11-10-12-16-20-28-46(2)62(77)78)61(76)48(4)59(74)37-22-18-14-9-7-5-6-8-13-17-21-36-58(73)47(3)60(75)44-57(72)43-54(69)34-25-33-53(68)42-56(71)41-52(67)32-24-31-50(65)39-49(64)29-23-30-51(66)40-55(70)35-26-38-63/h5-10,12-14,16-25,27-29,32,34,37,45,47-59,61,64-74,76H,11,15,26,30-31,33,35-36,38-44,63H2,1-4H3,(H,77,78)/b6-5+,9-7+,12-10+,13-8+,18-14+,20-16+,21-17+,27-19+,29-23+,32-24+,34-25+,37-22+,46-28+/t45?,47?,48-,49+,50+,51+,52+,53-,54+,55-,56-,57+,58?,59+,61-/m0/s1 |
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| SMILES (mnx) | [CH3:1][CH:45](/[CH:27]=[CH:19]/[CH2:15][CH2:11]/[CH:10]=[CH:12]/[CH:16]=[CH:20]/[CH:28]=[C:46](\[CH3:2])[C:62](=[O:77])[OH:78])[C@@H:61]([C@@H:48]([CH3:4])[C@@H:59](/[CH:37]=[CH:22]/[CH:18]=[CH:14]/[CH:9]=[CH:7]/[CH:5]=[CH:6]/[CH:8]=[CH:13]/[CH:17]=[CH:21]/[CH2:36][CH:58]([CH:47]([CH3:3])[C:60]([CH2:44][C@@H:57]([CH2:43][C@@H:54](/[CH:34]=[CH:25]/[CH2:33][C@@H:53]([CH2:42][C@H:56]([CH2:41][C@@H:52](/[CH:32]=[CH:24]/[CH2:31][C@H:50]([CH2:39][C@@H:49](/[CH:29]=[CH:23]/[CH2:30][C@H:51]([CH2:40][C@H:55]([CH2:35][CH2:26][CH2:38][NH2:63])[OH:70])[OH:66])[OH:64])[OH:65])[OH:67])[OH:71])[OH:68])[OH:69])[OH:72])=[O:75])[OH:73])[OH:74])[OH:76] |
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