input word = C00029690

Metabolite InformationStructural formula
Name Anhuienside C
Formula C53H86O21
Mw 1058.56615981
CAS RN 301334-74-7
C_ID C00029690 ,
InChIKey NGKYAUZANWQMED-DEYKRRRWNA-N
InChICode InChI=1S/C53H86O21/c1-23-32(56)36(60)40(64)44(69-23)73-42-33(57)26(55)21-67-46(42)72-31-12-13-50(6)29(49(31,4)5)11-14-52(8)30(50)10-9-24-25-19-48(2,3)15-17-53(25,18-16-51(24,52)7)47(66)74-45-41(65)38(62)35(59)28(71-45)22-68-43-39(63)37(61)34(58)27(20-54)70-43/h9,23,25-46,54-65H,10-22H2,1-8H3/t23-,25-,26+,27+,28+,29-,30+,31-,32-,33-,34+,35+,36-,37-,38-,39+,40+,41+,42-,43?,44-,45-,46+,50-,51+,52+,53-/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]1OC[C@H]([C@@H]([C@@H]1O[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)C)O)O)O)O)O)C)C)C(=O)O[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O)CO[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
PlantaeAraliaceaeAcanthopanax senticosus Ref.
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OrganismAcanthopanax senticosus
ReferenceLi,Chem.Pharm.Bull.,55,(2007),1087