input word = C00020256

Metabolite InformationStructural formula
Name Cryptoporic acid E
Formula C45H68O15
Mw 848.4558215
CAS RN 120001-10-7
C_ID C00020256 ,
InChIKey PCFMECNNYYMDRS-WLSWXWFHNA-N
InChICode InChI=1S/C45H68O15/c1-26-12-14-32-42(3,24-46)16-10-18-44(32,5)30(26)22-59-37(41(54)57-9)29(21-35(49)50)39(52)60-25-43(4)17-11-19-45(6)31(27(2)13-15-33(43)45)23-58-36(40(53)56-8)28(20-34(47)48)38(51)55-7/h28-33,36-37,46H,1-2,10-25H2,3-9H3,(H,47,48)(H,49,50)/t28-,29-,30-,31-,32-,33-,36+,37-,42-,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]([C@H](OC[C@@H]1[C@]2([C@@H](CCC1=C)[C@@](CCC2)(CO)C)C)C(=O)OC)CC(=O)O)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
FungiPolyporaceaeCryptoporus volvatus Ref.
--Caloporus dichrous Ref.
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