input word = C00038451

Metabolite InformationStructural formula
Name Ancorinoside C
(+)-Ancorinoside C
Formula C42H71NO17
Mw 861.47219985
CAS RN 334519-26-5
C_ID C00038451 ,
InChIKey UIDZHDZHHBGSAV-NRGPWPGMNA-N
InChICode InChI=1S/C42H71NO17/c1-25(19-15-11-7-5-3-4-6-8-13-17-21-27(45)30-31(48)26(23-29(46)47)43(2)39(30)54)20-16-12-9-10-14-18-22-57-41-36(53)34(51)37(38(60-41)40(55)56)59-42-35(52)33(50)32(49)28(24-44)58-42/h25-26,28,32-38,41-42,44-45,49-53H,3-24H2,1-2H3,(H,46,47)(H,55,56)/b30-27+/t25-,26-,28-,32+,33+,34-,35-,36-,37+,38+,41-,42+/m1/s1
SMILES O1[C@H]([C@@H]([C@H]([C@@H]([C@H]1C(=O)O)O[C@@H]1O[C@@H]([C@@H]([C@@H]([C@H]1O)O)O)CO)O)O)OCCCCCCCC[C@@H](CCCCCCCCCCCC/C(=C/1\C(=O)N([C@@H](C1=O)CC(=O)O)C)/O)C
Start Substs in Alk. Biosynthesis (Prediction) L-Pro L-Lys L-Arg L-Ala
Organism
Kingdom Family Species Reference
--Penares sollasi Ref.
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OrganismPenares sollasi
ReferenceNakao,J.Nat.Prod.,70,(2007),689