input word = C00029639

Metabolite InformationStructural formula
Name Achyranthoside F
Formula C48H74O21
Mw 986.47225943
CAS RN 216018-01-8
C_ID C00029639 ,
InChIKey BMPCPGBMYBUVCW-GYGINKKJNA-N
InChICode InChI=1S/C48H74O21/c1-42(2)14-16-47(40(62)69-37-31(55)30(54)29(53)24(19-49)65-37)17-15-45(6)22(23(47)18-42)8-9-26-44(5)12-11-27(43(3,4)25(44)10-13-46(26,45)7)66-38-33(57)34(32(56)35(67-38)36(58)59)68-41(64-20-28(51)52)48(63,21-50)39(60)61/h8,23-27,29-35,37-38,41,49-50,53-57,63H,9-21H2,1-7H3,(H,51,52)(H,58,59)(H,60,61)/t23-,24+,25-,26+,27-,29+,30-,31+,32-,33+,34-,35-,37-,38+,41-,44-,45+,46+,47-,48+/m0/s1
SMILES C1[C@@H](C([C@H]2[C@](C1)([C@@H]1[C@@](CC2)([C@]2(C(=CC1)[C@H]1[C@@](CC2)(CCC(C1)(C)C)C(=O)O[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O)CO)C)C)C)(C)C)O[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O[C@H](OCC(=O)O)[C@@](CO)(C(=O)O)O)O)C(=O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAmaranthaceaeAchyranthes fauriei Ref.
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OrganismAchyranthes fauriei
ReferenceAndo,J.Nat.Med.,62,(2008),57