| Properties | Image |
|---|
| MNX_ID | MNXM1172059 |
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| reference | envipathM:...a73e9c09fe1d |
| formula | C39H62O15 |
| global charge | 0 |
| mol weight | 770.91 |
| InChIKey | MWFLQZAMZBZXAO-UHFFFAOYSA-N |
| InChI | InChI=1S/C39H62O15/c1-18-33(46)24(41)13-31(49-18)53-35-20(3)51-32(15-26(35)43)54-34-19(2)50-30(14-25(34)42)52-22-7-9-36(4)21(12-22)6-10-38(47)28(36)16-29(45)37(5)23(27(44)17-40)8-11-39(37,38)48/h18-24,26,28-35,40-41,43,45-48H,6-17H2,1-5H3 |
| SMILES | CC1OC(OC2CCC3(C)C(CCC4(O)C3CC(O)C3(C)C(C(=O)CO)CCC43O)C2)CC(=O)C1OC1CC(O)C(OC2CC(O)C(O)C(C)O2)C(C)O1 |
MNX internals
| InChI (mnx) | InChI=1/C39H62O15/c1-18-33(46)24(41)13-31(49-18)53-35-20(3)51-32(15-26(35)43)54-34-19(2)50-30(14-25(34)42)52-22-7-9-36(4)21(12-22)6-10-38(47)28(36)16-29(45)37(5)23(27(44)17-40)8-11-39(37,38)48/h18-24,26,28-35,40-41,43,45-48H,6-17H2,1-5H3/t18?,19?,20?,21?,22?,23?,24?,26?,28?,29?,30?,31?,32?,33?,34?,35?,36?,37?,38?,39? |
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| SMILES (mnx) | [CH3:1][CH:18]1[CH:33]([OH:46])[CH:24]([OH:41])[CH2:13][CH:31]([O:53][CH:35]2[CH:20]([CH3:3])[O:51][CH:32]([O:54][CH:34]3[CH:19]([CH3:2])[O:50][CH:30]([O:52][CH:22]4[CH2:7][CH2:9][C:36]5([CH3:4])[CH:21]([CH2:6][CH2:10][C:38]6([OH:47])[CH:28]5[CH2:16][CH:29]([OH:45])[C:37]5([CH3:5])[CH:23]([C:27]([CH2:17][OH:40])=[O:44])[CH2:8][CH2:11][C:39]56[OH:48])[CH2:12]4)[CH2:14][C:25]3=[O:42])[CH2:15][CH:26]2[OH:43])[O:49]1 |
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