| Properties | Image |
|---|
| MNX_ID | MNXM145024 |
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| reference | hmdb:HMDB0038617 |
| formula | C51H84O22 |
| global charge | 0 |
| mol weight | 1049.211 |
| InChIKey | OGDZMTXQECKLNF-UHFFFAOYSA-N |
| InChI | InChI=1S/C51H84O22/c1-21(19-65-45-40(61)38(59)36(57)31(17-52)69-45)9-14-51(64-6)22(2)33-30(73-51)16-28-26-8-7-24-15-25(10-12-49(24,4)27(26)11-13-50(28,33)5)68-48-44(72-47-41(62)37(58)34(55)23(3)67-47)42(63)43(32(18-53)70-48)71-46-39(60)35(56)29(54)20-66-46/h7,21-23,25-48,52-63H,8-20H2,1-6H3 |
| SMILES | COC1(CCC(C)COC2OC(CO)C(O)C(O)C2O)OC2CC3C4CC=C5CC(OC6OC(CO)C(OC7OCC(O)C(O)C7O)C(O)C6OC6OC(C)C(O)C(O)C6O)CCC5(C)C4CCC3(C)C2C1C |
MNX internals
| InChI (mnx) | InChI=1/C51H84O22/c1-21(19-65-45-40(61)38(59)36(57)31(17-52)69-45)9-14-51(64-6)22(2)33-30(73-51)16-28-26-8-7-24-15-25(10-12-49(24,4)27(26)11-13-50(28,33)5)68-48-44(72-47-41(62)37(58)34(55)23(3)67-47)42(63)43(32(18-53)70-48)71-46-39(60)35(56)29(54)20-66-46/h7,21-23,25-48,52-63H,8-20H2,1-6H3/t21?,22?,23?,25?,26?,27?,28?,29?,30?,31?,32?,33?,34?,35?,36?,37?,38?,39?,40?,41?,42?,43?,44?,45?,46?,47?,48?,49?,50?,51? |
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| SMILES (mnx) | [CH3:1][CH:21]([CH2:9][CH2:14][C:51]1([O:64][CH3:6])[CH:22]([CH3:2])[CH:33]2[CH:30]([CH2:16][CH:28]3[CH:26]4[CH2:8][CH:7]=[C:24]5[CH2:15][CH:25]([O:68][CH:48]6[CH:44]([O:72][CH:47]7[CH:41]([OH:62])[CH:37]([OH:58])[CH:34]([OH:55])[CH:23]([CH3:3])[O:67]7)[CH:42]([OH:63])[CH:43]([O:71][CH:46]7[CH:39]([OH:60])[CH:35]([OH:56])[CH:29]([OH:54])[CH2:20][O:66]7)[CH:32]([CH2:18][OH:53])[O:70]6)[CH2:10][CH2:12][C:49]5([CH3:4])[CH:27]4[CH2:11][CH2:13][C:50]32[CH3:5])[O:73]1)[CH2:19][O:65][CH:45]1[CH:40]([OH:61])[CH:38]([OH:59])[CH:36]([OH:57])[CH:31]([CH2:17][OH:52])[O:69]1 |
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