| Properties | Image | Occurences in reactions |
MNX_ID | MNXM124280 |
|
| #reac |
in my sandbox |
0 |
in MNXref (generic) | 0 |
in models (compartimentalized) |
0 |
|
formula | C27H31O16 |
charge | 1 |
mass | 611.16066 |
reference | hmdb:HMDB0038002 |
InChIKey | IEMQNRLOUXMJQV-UHFFFAOYSA-O |
InChI | InChI=1S/C27H30O16/c1-8-18(32)21(35)23(37)26(39-8)42-16-6-11-14(40-25(16)9-2-12(30)19(33)13(31)3-9)4-10(29)5-15(11)41-27-24(38)22(36)20(34)17(7-28)43-27/h2-6,8,17-18,20-24,26-28,32,34-38H,7H2,1H3,(H3-,29,30,31,33)/p+1 |
SMILES | CC1OC(Oc2cc3c(OC4OC(CO)C(O)C(O)C4O)cc(O)cc3[o+]c2-c2cc(O)c(O)c(O)c2)C(O)C(O)C1O |
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