input word = C00024046

Metabolite InformationStructural formula
Name 3-Epidehydropachymic acid phthalimidomethyl ester
Formula C42H55NO7
Mw 685.39785312
CAS RN 168293-18-3
C_ID C00024046 ,
InChIKey AEIODDCOGPFVEZ-DMGODHRGNA-N
InChICode InChI=1S/C42H55NO7/c1-24(2)25(3)14-15-29(38(48)49-23-43-36(46)27-12-10-11-13-28(27)37(43)47)35-32(45)22-42(9)31-16-17-33-39(5,6)34(50-26(4)44)19-20-40(33,7)30(31)18-21-41(35,42)8/h10-13,16,18,24,29,32-35,45H,3,14-15,17,19-23H2,1-2,4-9H3/t29-,32-,33+,34-,35+,40-,41-,42+/m1/s1
SMILES C=C(CC[C@@H](C(=O)OCN1C(=O)c2ccccc2C1=O)[C@H]1[C@H](O)C[C@@]2(C)C3=CC[C@H]4C(C)(C)[C@H](OC(C)=O)CC[C@]4(C)C3=CC[C@]12C)C(C)C
Start Substs in Alk. Biosynthesis (Prediction) Indole-3 GGPP L-Asp
Organism
Kingdom Family Species Reference
--Poria cocos WOLF Ref.
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OrganismPoria cocos WOLF
ReferenceTai T.,Phytochem.,40,(1995),225-231