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CHEBI:208045 - Sch 420789

ChEBI IDCHEBI:208045
ChEBI NameSch 420789
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FormulaC27H36O6
Net Charge0
Average Mass456.579
Monoisotopic Mass456.25119
SMILESC=C(C=O)[C@@H]1CC(=O)C=C2[C@@H](OC(=O)/C=C/C=C/C(C)CC(C)CC)CC[C@@H](C(=O)O)[C@@]21C
InChIInChI=1S/C27H36O6/c1-6-17(2)13-18(3)9-7-8-10-25(30)33-24-12-11-21(26(31)32)27(5)22(19(4)16-28)14-20(29)15-23(24)27/h7-10,15-18,21-22,24H,4,6,11-14H2,1-3,5H3,(H,31,32)/b9-7+,10-8+/t17?,18?,21-,22-,24-,27+/m0/s1
InChIKeyPDQFETFKTODSNI-JCKHCUFASA-N
ChEBI Ontology
Outgoing Relation(s)
Sch 420789 (CHEBI:208045) is a fatty acid ester (CHEBI:35748)
IUPAC Name 
(1R,4S,8R,8aS)-4-[(2E,4E)-6,8-dimethyldeca-2,4-dienoyl]oxy-8a-methyl-6-oxo-8-(3-oxoprop-1-en-2-yl)-1,2,3,4,7,8-hexahydronaphthalene-1-carboxylic acid
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