input word = C00031696

Metabolite InformationStructural formula
Name Cryptoporic acid G
Formula C44H66O15
Mw 834.44017144
CAS RN 126632-96-0
C_ID C00031696 ,
InChIKey QNUPKVYJKLCMKD-PGWHXLJLNA-N
InChICode InChI=1S/C44H66O15/c1-25-11-13-31-41(3,23-45)15-9-17-43(31,5)29(25)22-58-36(40(54)56-8)28(20-34(48)49)38(52)59-24-42(4)16-10-18-44(6)30(26(2)12-14-32(42)44)21-57-35(39(53)55-7)27(37(50)51)19-33(46)47/h27-32,35-36,45H,1-2,9-24H2,3-8H3,(H,46,47)(H,48,49)(H,50,51)/t27-,28-,29-,30-,31-,32-,35+,36+,41-,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)(CCC[C@]2(CO)C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
FungiPolyporaceaeCryptoporus volvatus Ref.
--Caloporus dichrous Ref.
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