input word = C00038869

Metabolite InformationStructural formula
Name Crypthophilic acid A
(-)-Crypthophilic acid A
Formula C40H72O22
Mw 904.45152399
CAS RN 925424-87-9
C_ID C00038869 ,
InChIKey JWKIOWGQARSDFT-WUOVEUKINA-N
InChICode InChI=1S/C40H72O22/c1-4-5-13-21(14-11-9-7-6-8-10-12-20(42)15-24(43)44)58-39-35(32(52)28(48)23(60-39)17-55-37-33(53)29(49)25(45)18(2)56-37)62-40-36(31(51)27(47)22(16-41)59-40)61-38-34(54)30(50)26(46)19(3)57-38/h18-23,25-42,45-54H,4-17H2,1-3H3,(H,43,44)/t18-,19-,20+,21-,22+,23+,25-,26-,27-,28-,29+,30+,31-,32-,33+,34+,35+,36+,37+,38-,39+,40-/m0/s1
SMILES O1[C@H]([C@@H]([C@H]([C@H]([C@H]1CO)O)O)O[C@@H]1O[C@H]([C@@H]([C@H]([C@H]1O)O)O)C)O[C@@H]1[C@H]([C@H]([C@H](O[C@H]1O[C@H](CCCCCCCC[C@H](CC(=O)O)O)CCCC)CO[C@@H]1O[C@H]([C@@H]([C@H]([C@H]1O)O)O)C)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeScrophulariaceaeScrophularia crypthophila Ref.
zoom in



OrganismScrophularia crypthophila
ReferenceCalis,J.Nat.Prod.,70,(2007),43