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CHEBI:217067 - 07H239-A

ChEBI IDCHEBI:217067
ChEBI Name07H239-A
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FormulaC27H36O6
Net Charge0
Average Mass456.579
Monoisotopic Mass456.25119
SMILESC=C(C=O)[C@@H]1C[C@@]2(C)C(=CC1=O)[C@H](OC(=O)/C=C/C=C/C(C)CC(C)CC)CC[C@@H]2C(=O)O
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)15-20(19(4)16-28)23(29)14-22(24)27/h7-10,14,16-18,20-21,24H,4,6,11-13,15H2,1-3,5H3,(H,31,32)/b9-7+,10-8+/t17?,18?,20-,21+,24+,27+/m0/s1
InChIKeyKFNRVRQZGWBRJR-XQLFHWRFSA-N
ChEBI Ontology
Outgoing Relation(s)
07H239-A (CHEBI:217067) is a sesquiterpenoid (CHEBI:26658)
IUPAC Name 
(1S,4R,7S,8aR)-4-[(2E,4E)-6,8-dimethyldeca-2,4-dienoyl]oxy-8a-methyl-6-oxo-7-(3-oxoprop-1-en-2-yl)-1,2,3,4,7,8-hexahydronaphthalene-1-carboxylic acid
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