input word = C00046790

Metabolite InformationStructural formula
Name Kinmoonoside C
(+)-Kinmoonoside C
Formula C80H128O40
Mw 1728.79818898
CAS RN 316146-88-0
C_ID C00046790 ,
InChIKey VMHSOXVWGGXLLL-KJNDORSINA-N
InChICode InChI=1S/C80H128O40/c1-11-76(7,105)18-12-13-32(24-81)65(103)114-45-23-80(73(104)120-72-64(54(96)49(91)38(27-84)112-72)119-70-60(102)62(117-68-58(100)52(94)47(89)36(25-82)109-68)61(31(2)108-70)116-67-57(99)50(92)39(28-85)111-67)34(21-74(45,3)4)33-14-15-42-77(8)19-17-44(75(5,6)41(77)16-20-78(42,9)79(33,10)22-43(80)87)115-71-63(118-69-59(101)53(95)48(90)37(26-83)110-69)55(97)51(93)40(113-71)30-107-66-56(98)46(88)35(86)29-106-66/h11,13-14,31,34-64,66-72,81-102,105H,1,12,15-30H2,2-10H3/b32-13+/t31-,34-,35-,36+,37+,38+,39-,40+,41-,42+,43+,44-,45-,46-,47+,48+,49+,50-,51+,52-,53-,54-,55-,56+,57+,58+,59+,60+,61-,62-,63+,64+,66-,67-,68-,69-,70-,71-,72-,76-,77-,78+,79+,80+/m0/s1
SMILES [C@@H]1([C@@H]([C@H]([C@@H](O[C@@H]1CO[C@H]1[C@@H]([C@H]([C@H](CO1)O)O)O)O[C@H]1CC[C@]2([C@H](C1(C)C)CC[C@@]1([C@@H]2CC=C2[C@]1(C[C@H]([C@@]1([C@H]2CC([C@H](C1)OC(=O)/C(=C/CC[C@@](C)(O)C=C)/CO)(C)C)C(=O)O[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O[C@H]1[C@H](O)[C@@H]([C@H]([C@@H](O1)C)O[C@@H]1O[C@H]([C@@H]([C@H]1O)O)CO)O[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O)CO)O)O)CO)O)C)C)C)O[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O)CO)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeFabaceaeAcacia concinna Ref.
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OrganismAcacia concinna
ReferenceTezuka,J.Nat.Prod.,63,(2000),1058