input word = C00057575

Metabolite InformationStructural formula
Name 3-Oxosulfurenic acid
Formula C31H48O4
Mw 484.35526002
CAS RN 823202-91-1
C_ID C00057575
InChIKey RRLWMWALKOEVJX-HOSBDSGNSA-N
InChICode InChI=1S/C31H48O4/c1-18(2)19(3)9-10-20(27(34)35)23-17-26(33)31(8)22-11-12-24-28(4,5)25(32)14-15-29(24,6)21(22)13-16-30(23,31)7/h18,20,23-24,26,33H,3,9-17H2,1-2,4-8H3,(H,34,35)/t20-,23-,24+,26+,29-,30-,31-/m1/s1
SMILES O=C1CC[C@@]2(C)[C@](CCC3=C2CC[C@@]4(C)[C@@]3(C)[C@@H](O)C[C@]4([H])[C@@H](CCC(C(C)C)=C)C(O)=O)([H])C1(C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
FungiPolyporaceaeLaetiporus sulphureus Ref.
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