input word = C00038871

Metabolite InformationStructural formula
Name Crypthophilic acid C
(-)-Crypthophilic acid C
Formula C47H82O24
Mw 1030.51960355
CAS RN 924886-64-6
C_ID C00038871 ,
InChIKey SUAIJDIBZLNIGY-FRKOCTCANA-N
InChICode InChI=1S/C47H82O24/c1-7-9-17-27(18-15-13-11-10-12-14-16-26(50)19-30(51)52)66-46-41(34(56)32(54)29(68-46)21-62-44-37(59)35(57)39(23(4)63-44)65-25(6)49)71-47-42(33(55)31(53)28(20-48)67-47)70-45-38(60)36(58)40(24(5)64-45)69-43(61)22(3)8-2/h22-24,26-29,31-42,44-48,50,53-60H,7-21H2,1-6H3,(H,51,52)/t22-,23+,24+,26-,27+,28-,29-,31-,32-,33+,34+,35+,36+,37-,38-,39+,40+,41-,42-,44-,45+,46-,47+/m1/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)OC(=O)[C@@H](CC)C)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)OC(=O)C)C)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeScrophulariaceaeScrophularia crypthophila Ref.
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