| Properties | Image |
|---|
| MNX_ID | MNXM42543 |
 |
| reference | chebi:192503 |
| formula | C60H50O24 |
| global charge | 0 |
| mol weight | 1155.036 |
| InChIKey | QFLMUASKTWGRQE-MPCJJEQZSA-N |
| InChI | InChI=1S/C60H50O24/c61-23-13-34(71)42-41(14-23)81-55(20-2-6-26(63)31(68)10-20)51(78)48(42)44-36(73)17-38(75)46-50(53(80)57(83-59(44)46)22-4-8-28(65)33(70)12-22)47-39(76)18-37(74)45-49(52(79)56(84-60(45)47)21-3-7-27(64)32(69)11-21)43-35(72)16-29(66)24-15-40(77)54(82-58(24)43)19-1-5-25(62)30(67)9-19/h1-14,16-18,40,48-57,61-80H,15H2/t40-,48+,49-,50+,51+,52+,53+,54+,55+,56+,57+/m0/s1 |
| SMILES | OC1=CC2=C(C(O)=C1)[C@H](C1=C(O)C=C(O)C3=C1O[C@H](C1=CC(O)=C(O)C=C1)[C@H](O)[C@H]3C1=C(O)C=C(O)C3=C1O[C@H](C1=CC(O)=C(O)C=C1)[C@H](O)[C@H]3C1=C(O)C=C(O)C3=C1O[C@H](C1=CC(O)=C(O)C=C1)[C@@H](O)C3)[C@@H](O)[C@@H](C1=CC(O)=C(O)C=C1)O2 |
MNX internals
| InChI (mnx) | InChI=1/C60H50O24/c61-23-13-34(71)42-41(14-23)81-55(20-2-6-26(63)31(68)10-20)51(78)48(42)44-36(73)17-38(75)46-50(53(80)57(83-59(44)46)22-4-8-28(65)33(70)12-22)47-39(76)18-37(74)45-49(52(79)56(84-60(45)47)21-3-7-27(64)32(69)11-21)43-35(72)16-29(66)24-15-40(77)54(82-58(24)43)19-1-5-25(62)30(67)9-19/h1-14,16-18,40,48-57,61-80H,15H2/t40-,48+,49-,50+,51+,52+,53+,54+,55+,56+,57+/m0/s1 |
 |
| SMILES (mnx) | [CH:1]1=[CH:5][C:25]([OH:62])=[C:30]([OH:67])[CH:9]=[C:19]1[C@@H:54]1[C@@H:40]([OH:77])[CH2:15][C:24]2=[C:58]([C:43]([C@H:49]3[C:45]4=[C:60]([C:47]([C@H:50]5[C:46]6=[C:38]([OH:75])[CH:17]=[C:36]([OH:73])[C:44]([C@H:48]7[C:42]8=[C:34]([OH:71])[CH:13]=[C:23]([OH:61])[CH:14]=[C:41]8[O:81][C@H:55]([C:20]8=[CH:10][C:31]([OH:68])=[C:26]([OH:63])[CH:6]=[CH:2]8)[C@@H:51]7[OH:78])=[C:59]6[O:83][C@H:57]([C:22]6=[CH:12][C:33]([OH:70])=[C:28]([OH:65])[CH:8]=[CH:4]6)[C@@H:53]5[OH:80])=[C:39]([OH:76])[CH:18]=[C:37]4[OH:74])[O:84][C@H:56]([C:21]4=[CH:11][C:32]([OH:69])=[C:27]([OH:64])[CH:7]=[CH:3]4)[C@@H:52]3[OH:79])=[C:35]([OH:72])[CH:16]=[C:29]2[OH:66])[O:82]1 |
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