input word = C00045683

Metabolite InformationStructural formula
Name Bidentatoside I
Formula C47H70O20
Mw 954.44604468
CAS RN 330808-27-0
C_ID C00045683 ,
InChIKey OSASUDJULLHLOS-UHFFFAOYNA-N
InChICode InChI=1S/C47H70O20/c1-41(2)14-16-46(39(59)66-36-30(53)29(52)28(51)23(19-48)62-36)17-15-44(6)21(22(46)18-41)8-9-25-43(5)12-11-26(42(3,4)24(43)10-13-45(25,44)7)63-37-34-32(31(54)33(64-37)35(55)56)67-47(60,38(57)58)40(65-34)61-20-27(49)50/h8,22-26,28-34,36-37,40,48,51-54,60H,9-20H2,1-7H3,(H,49,50)(H,55,56)(H,57,58)/t22-,23+,24-,25+,26+,28-,29-,30+,31+,32+,33-,34-,36-,37-,40-,43-,44+,45-,46+,47-/m0/s1
SMILES C1(CC[C@@]2([C@@H](C1)C1=CC[C@H]3[C@@]([C@@]1(CC2)C)(CC[C@@H]1[C@@]3(CC[C@H](C1(C)C)O[C@@H]1[C@@H]2[C@@H]([C@H]([C@H](O1)C(=O)O)O)O[C@@]([C@H](O2)OCC(=O)O)(O)C(=O)O)C)C)C(=O)O[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)(C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAmaranthaceaeAchyranthes bidentata Ref.
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