input word = C00030104

Metabolite InformationStructural formula
Name Dehydropachymic acid
Formula C33H50O5
Mw 526.36582471
CAS RN 77012-31-8
C_ID C00030104 ,
InChIKey RWIALJIVPUCERT-QTOLGTLYNA-N
InChICode InChI=1S/C33H50O5/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/h12,14,19,22,25-28,35H,3,10-11,13,15-18H2,1-2,4-9H3,(H,36,37)/t22-,25-,26+,27+,28+,31-,32-,33+/m1/s1
SMILES C1[C@@H](C([C@H]2[C@](C1)(C1=CC[C@]3([C@](C1=CC2)(C[C@H]([C@@H]3[C@@H](CCC(=C)C(C)C)C(=O)O)O)C)C)C)(C)C)OC(=O)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
--Poria cocos Ref.
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