input word = C00031695

Metabolite InformationStructural formula
Name Cryptoporic acid F
Formula C44H66O14
Mw 818.44525682
CAS RN 126632-95-9
C_ID C00031695 ,
InChIKey ACYBBNUXUYWVJR-JBCIISKPNA-N
InChICode InChI=1S/C44H66O14/c1-25-12-14-31-41(3,4)16-10-18-43(31,6)29(25)22-57-36(40(53)55-9)28(21-34(47)48)38(51)58-24-42(5)17-11-19-44(7)30(26(2)13-15-32(42)44)23-56-35(39(52)54-8)27(37(49)50)20-33(45)46/h27-32,35-36H,1-2,10-24H2,3-9H3,(H,45,46)(H,47,48)(H,49,50)/t27-,28-,29-,30-,31-,32-,35+,36+,42-,43-,44-/m0/s1
SMILES C1(=C)CC[C@@H]2[C@]([C@H]1CO[C@H]([C@H](CC(=O)O)C(=O)OC[C@]1([C@@H]3CCC(=C)[C@@H]([C@@]3(CCC1)C)CO[C@H]([C@H](CC(=O)O)C(=O)O)C(=O)OC)C)C(=O)OC)(CCCC2(C)C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
FungiPolyporaceaeCryptoporus volvatus Ref.
--Caloporus dichrous Ref.
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