input word = C00020257

Metabolite InformationStructural formula
Name Cryptoporic acid C
Formula C45H68O14
Mw 832.46090688
CAS RN 119979-94-1
C_ID C00020257 ,
InChIKey CWMFUDUBPHDHAX-UHFFFAOYNA-N
InChICode InChI=1S/C45H68O14/c1-26-13-15-32-42(3,4)17-11-19-44(32,6)30(26)23-58-37(41(53)56-10)29(22-35(48)49)39(51)59-25-43(5)18-12-20-45(7)31(27(2)14-16-33(43)45)24-57-36(40(52)55-9)28(21-34(46)47)38(50)54-8/h28-33,36-37H,1-2,11-25H2,3-10H3,(H,46,47)(H,48,49)/t28-,29-,30-,31-,32+,33-,36-,37+,43+,44-,45+/m0/s1
SMILES C1(=C)CC[C@@H]2[C@@]([C@H]1CO[C@@H]([C@H](CC(=O)O)C(=O)OC)C(=O)OC)(CCC[C@]2(C)COC(=O)[C@@H](CC(=O)O)[C@H](C(=O)OC)OC[C@H]1C(=C)CC[C@H]2[C@]1(CCCC2(C)C)C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
FungiPolyporaceaeCryptoporus volvatus Ref.
--Caloporus dichrous Ref.
zoom in