input word = C00003464

Metabolite InformationStructural formula
Name 12-O-Palmitoyl-16-hydroxyphorbol 13-acetate
Formula C38H60O9
Mw 660.42373351
CAS RN 53202-98-5
C_ID C00003464 ,
InChIKey DYHBGVHTKOPQDM-MALZTHEXNA-N
InChICode InChI=1S/C38H60O9/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-31(42)46-34-26(3)37(45)29(32-35(5,24-40)38(32,34)47-27(4)41)21-28(23-39)22-36(44)30(37)20-25(2)33(36)43/h20-21,26,29-30,32,34,39-40,44-45H,6-19,22-24H2,1-5H3/t26-,29-,30-,32-,34-,35-,36-,37+,38-/m1/s1
SMILES CCCCCCCCCCCCCCCC(=O)O[C@@H]1[C@@H](C)[C@@]2(O)[C@@H](C=C(CO)C[C@]3(O)C(=O)C(C)=C[C@@H]23)[C@H]2[C@]1(OC(C)=O)[C@]2(C)CO
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeEuphorbiaceaeAleurites fordii Ref.
PlantaeEuphorbiaceaeCroton flavens Ref.
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