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CHEBI:181595 - [13-acetyloxy-1,6-dihydroxy-8-(hydroxymethyl)-4,12,12,15-tetramethyl-5-oxo-14-tetracyclo[8.5.0.02,6.011,13]pentadeca-3,8-dienyl] (E)-2-methylbut-2-enoate

ChEBI IDCHEBI:181595
ChEBI Name[13-acetyloxy-1,6-dihydroxy-8-(hydroxymethyl)-4,12,12,15-tetramethyl-5-oxo-14-tetracyclo[8.5.0.02,6.011,13]pentadeca-3,8-dienyl] (E)-2-methylbut-2-enoate
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC27H36O8
Net Charge0
Average Mass488.577
Monoisotopic Mass488.24102
SMILESC/C=C(\C)C(=O)OC1C(C)C2(O)C(C=C(CO)CC3(O)C(=O)C(C)=CC32)C2C(C)(C)C12OC(C)=O
InChIInChI=1S/C27H36O8/c1-8-13(2)23(31)34-22-15(4)26(33)18(20-24(6,7)27(20,22)35-16(5)29)10-17(12-28)11-25(32)19(26)9-14(3)21(25)30/h8-10,15,18-20,22,28,32-33H,11-12H2,1-7H3/b13-8+
InChIKeyPCASZNXKLGTEGB-MDWZMJQESA-N
ChEBI Ontology
Outgoing Relation(s)
[13-acetyloxy-1,6-dihydroxy-8-(hydroxymethyl)-4,12,12,15-tetramethyl-5-oxo-14-tetracyclo[8.5.0.02,6.011,13]pentadeca-3,8-dienyl] (E)-2-methylbut-2-enoate (CHEBI:181595) is a phorbol ester (CHEBI:37532)
IUPAC Name 
[13-acetyloxy-1,6-dihydroxy-8-(hydroxymethyl)-4,12,12,15-tetramethyl-5-oxo-14-tetracyclo[8.5.0.02,6.011,13]pentadeca-3,8-dienyl] (E)-2-methylbut-2-enoate
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