Name |
Malvidin 3-sophoroside-5-glucoside |
Formula |
C35H45O22 |
Mw |
817.24024813 |
CAS RN |
61811-04-9 |
C_ID |
C00006744
,
|
InChIKey |
MUOOTWYWWLJAQU-JPVAUMLHNA-O |
InChICode |
InChI=1S/C35H44O22/c1-49-16-3-11(4-17(50-2)22(16)40)31-18(7-13-14(51-31)5-12(39)6-15(13)52-33-29(47)26(44)23(41)19(8-36)54-33)53-35-32(28(46)25(43)21(10-38)56-35)57-34-30(48)27(45)24(42)20(9-37)55-34/h3-7,19-21,23-30,32-38,41-48H,8-10H2,1-2H3,(H-,39,40)/p+1/t19-,20-,21-,23-,24-,25-,26+,27+,28-,29+,30-,32-,33-,34+,35-/m1/s1 |
SMILES |
c1(cc(c2c(c1)[o+]c(c(c2)O[C@H]1[C@@H]([C@@H]([C@@H]([C@H](O1)CO)O)O)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)c1cc(c(c(c1)OC)O)OC)O[C@H]1[C@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)O |
Start Substs in Alk. Biosynthesis (Prediction) |
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Organism |
Kingdom |
Family |
Species |
Reference |
Plantae | Solanaceae | Solanum americanum | Ref. |
Plantae | Vitaceae | Vitis flexuosa | Ref. |
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