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 c1c(cc2c(c1)O[C@@H](C2)C(=C)C)Cc1c2c(c3c(c1O)C[C@H]1[C@@](O3)(OC[C@@H]1C)C)C[C@H]1[C@@](O2)(OC[C@@H]1C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
FungiXylariaceaeXylaria sp. #2508 Ref.
zoom in