input word = C00054726

Metabolite InformationStructural formula
Name 12-Acetoxy-3,7,11,15-tetraoxo-25,26,27-trinorlanost-8-en-24-oic acid.
Formula C29H38O8
Mw 514.25666819
CAS RN 98665-16-8
C_ID C00054726
InChIKey LTJSBYAKDOGXLX-JTJCPSTFSA-N
InChICode InChI=1S/C29H38O8/c1-14(8-9-21(34)35)16-12-20(33)29(7)22-17(31)13-18-26(3,4)19(32)10-11-27(18,5)23(22)24(36)25(28(16,29)6)37-15(2)30/h14,16,18,25H,8-13H2,1-7H3,(H,34,35)/t14-,16-,18+,25-,27+,28+,29+/m1/s1
SMILES C[C@@H]([C@@]([C@]1([C@H](OC(C)=O)C(C2=C3C(C[C@@]4([H])C(C)(C(CC[C@@]42C)=O)C)=O)=O)C)([H])CC([C@@]31C)=O)CCC(O)=O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
FungiGanodermataceaeGanoderma lucidum Ref.
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