input word = C00058001

Metabolite InformationStructural formula
Name Tsugaric acid B
Formula C33H52O5
Mw 528.38147477
CAS RN 201045-20-7
C_ID C00058001
InChIKey ZCMJUAGNOJTZBJ-LASPUHGRSA-N
InChICode InChI=1S/C33H52O5/c1-19(2)20(3)10-11-22(29(36)37)28-25(35)18-33(9)24-12-13-26-30(5,6)27(38-21(4)34)15-16-31(26,7)23(24)14-17-32(28,33)8/h20,22,25-28,35H,1,10-18H2,2-9H3,(H,36,37)/t20?,22-,25-,26+,27+,28+,31-,32-,33+/m1/s1
SMILES C=C(C)C(C)CC[C@@H](C(=O)O)[C@H]1[C@H](O)C[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](OC(C)=O)C(C)(C)[C@@H]1CC3
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
FungiGanodermataceaeGanoderma tsugae Ref.
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