| Properties | Image |
|---|
| MNX_ID | MNXM1593769 |
 |
| reference | vmhM:crbs_asclp_lac
vmhM:crbs_asclp_lac |
| formula | C48H89NO13 |
| global charge | 0 |
| mol weight | 888.234 |
| InChIKey | PZAXFAQASFHXNC-VUJUCYNSSA-N |
| InChI | InChI=1S/C48H89NO13/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-40(53)49-36(37(52)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2)35-59-47-45(58)43(56)46(39(34-51)61-47)62-48-44(57)42(55)41(54)38(33-50)60-48/h13,15,29,31,36-39,41-48,50-52,54-58H,3-12,14,16-28,30,32-35H2,1-2H3,(H,49,53)/b15-13-,31-29+/t36-,37+,38?,39?,41+,42+,43?,44?,45?,46?,47?,48+/m0/s1 |
| SMILES | CCCCCC/C=C\CCCCCCCCCC(=O)N[C@@H](COC1OC(CO)C(O[C@H]2OC(CO)[C@@H](O)[C@@H](O)C2O)C(O)C1O)[C@H](O)/C=C/CCCCCCCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C48H89NO13/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-40(53)49-36(37(52)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2)35-59-47-45(58)43(56)46(39(34-51)61-47)62-48-44(57)42(55)41(54)38(33-50)60-48/h13,15,29,31,36-39,41-48,50-52,54-58H,3-12,14,16-28,30,32-35H2,1-2H3,(H,49,53)/b15-13-,31-29+/t36-,37+,38?,39?,41+,42+,43?,44?,45?,46?,47?,48+/m0/s1 |
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| SMILES (mnx) | [CH3:1][CH2:3][CH2:5][CH2:7][CH2:9][CH2:11]/[CH:13]=[CH:15]\[CH2:17][CH2:18][CH2:20][CH2:22][CH2:24][CH2:26][CH2:28][CH2:30][CH2:32][C:40]([NH:49][C@@H:36]([CH2:35][O:59][CH:47]1[CH:45]([OH:58])[CH:43]([OH:56])[CH:46]([O:62][C@@H:48]2[CH:44]([OH:57])[C@H:42]([OH:55])[C@H:41]([OH:54])[CH:38]([CH2:33][OH:50])[O:60]2)[CH:39]([CH2:34][OH:51])[O:61]1)[C@@H:37](/[CH:31]=[CH:29]/[CH2:27][CH2:25][CH2:23][CH2:21][CH2:19][CH2:16][CH2:14][CH2:12][CH2:10][CH2:8][CH2:6][CH2:4][CH3:2])[OH:52])=[O:53] |
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