Name |
Biochanin A 7-O-[beta-D-apiofuranosyl-(1->5)-beta-D-apiofuranosyl-(1->6)-beta-D-glucopyranoside] |
Formula |
C32H38O18 |
Mw |
710.20581441 |
CAS RN |
329280-62-8 |
C_ID |
C00019126
,
|
InChIKey |
CKLMBUIIPNQRLI-WMZQFJSJNA-N |
InChICode |
InChI=1S/C32H38O18/c1-43-15-4-2-14(3-5-15)17-8-44-19-7-16(6-18(34)21(19)22(17)35)49-28-25(38)24(37)23(36)20(50-28)9-45-29-27(40)32(42,12-47-29)13-48-30-26(39)31(41,10-33)11-46-30/h2-8,20,23-30,33-34,36-42H,9-13H2,1H3/t20-,23+,24+,25-,26-,27-,28-,29-,30+,31+,32-/m1/s1 |
SMILES |
c1(cc(c2c(c1)occ(c2=O)c1ccc(cc1)OC)O)O[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO[C@H]1[C@H]([C@@](O)(CO1)CO[C@H]1[C@H]([C@@](O)(CO1)CO)O)O)O)O)O |
Start Substs in Alk. Biosynthesis (Prediction) |
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Organism |
Kingdom |
Family |
Species |
Reference |
Plantae | Fabaceae | Andira inermis | Ref. |
Plantae | Fabaceae | Dalbergia sissoo | Ref. |
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