input word = C00047112

Metabolite InformationStructural formula
Name Tsugaric acid C
Formula C32H50O5
Mw 514.36582471
CAS RN 267649-96-7
C_ID C00047112 ,
InChIKey IPHISYDAYNYHSC-RHPLZSKWNA-N
InChICode InChI=1S/C32H50O5/c1-19(2)25(34)11-9-21(28(35)36)22-13-17-32(8)24-10-12-26-29(4,5)27(37-20(3)33)15-16-30(26,6)23(24)14-18-31(22,32)7/h21-22,25-27,34H,1,9-18H2,2-8H3,(H,35,36)/t21-,22-,25-,26+,27-,30-,31-,32+/m1/s1
SMILES C1C2=C([C@]3([C@](C1)([C@H](CC3)[C@H](C(=O)O)CC[C@H](C(=C)C)O)C)C)CC[C@@H]1[C@@]2(CC[C@H](C1(C)C)OC(=O)C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
FungiGanodermataceaeGanoderma tsugae Ref.
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