input word = C00003466

Metabolite InformationStructural formula
Name Phorbol 12-tiglate 13-decanoate
Formula C35H52O8
Mw 600.36621864
CAS RN 59086-92-9
C_ID C00003466 ,
InChIKey QWYNFKKVBDGBLL-HLSXRVBWNA-N
InChICode InChI=1S/C35H52O8/c1-8-10-11-12-13-14-15-16-27(37)43-35-28(32(35,6)7)25-18-24(20-36)19-33(40)26(17-22(4)29(33)38)34(25,41)23(5)30(35)42-31(39)21(3)9-2/h9,17-18,23,25-26,28,30,36,40-41H,8,10-16,19-20H2,1-7H3/b21-9+/t23-,25-,26-,28-,30-,33-,34+,35-/m1/s1
SMILES C/C=C(C)C(=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]2C(C)(C)[C@]12OC(=O)CCCCCCCCC
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeEuphorbiaceaeCroton tiglium Ref.
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OrganismCroton tiglium
ReferenceHarborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter52