input word = C00040719

Metabolite InformationStructural formula
Name Xyloketal J
(+)-Xyloketal J
Formula C32H38O6
Mw 518.26683895
CAS RN 1035349-32-6
C_ID C00040719 ,
InChIKey CFRIENBZULZHAO-RLZBGUPENA-N
InChICode InChI=1S/C32H38O6/c1-16(2)27-11-20-9-19(7-8-26(20)36-27)10-21-28(33)22-12-24-17(3)14-34-31(24,5)38-30(22)23-13-25-18(4)15-35-32(25,6)37-29(21)23/h7-9,17-18,24-25,27,33H,1,10-15H2,2-6H3/t17-,18-,24+,25+,27-,31+,32+/m0/s1
SMILES C=C(C)C1Cc2cc(Cc3c(O)c4c(c5c3O[C@@]3(C)OC[C@H](C)[C@H]3C5)O[C@@]3(C)OC[C@H](C)[C@H]3C4)ccc2O1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
FungiXylariaceaeXylaria sp. #2508 Ref.
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