input word = C00020258

Metabolite InformationStructural formula
Name Cryptoporic acid D
Formula C44H64O14
Mw 816.42960675
CAS RN 119979-95-2
C_ID C00020258 ,
InChIKey OXFMLGZWGZNFCM-SJQNHCAQNA-N
InChICode InChI=1S/C44H64O14/c1-25-11-13-31-41(3)15-9-17-43(31,5)29(25)21-55-35(39(51)53-7)27(19-33(45)46)37(49)58-24-42(4)16-10-18-44(6)30(26(2)12-14-32(42)44)22-56-36(40(52)54-8)28(20-34(47)48)38(50)57-23-41/h27-32,35-36H,1-2,9-24H2,3-8H3,(H,45,46)(H,47,48)/t27-,28-,29-,30-,31-,32-,35+,36+,41-,42-,43+,44+/m0/s1
SMILES C1(=C)CC[C@@H]2[C@]3([C@H]1CO[C@H]([C@@H](C(=O)OC[C@@]1(CCC[C@]4([C@H]1CCC(=C)[C@@H]4CO[C@H]([C@@H](C(=O)OC[C@@]2(CCC3)C)CC(=O)O)C(=O)OC)C)C)CC(=O)O)C(=O)OC)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
FungiPolyporaceaeCryptoporus volvatus Ref.
--Caloporus dichrous Ref.
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