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CHEBI:217820 - Betaestacin II

ChEBI IDCHEBI:217820
ChEBI NameBetaestacin II
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FormulaC25H36O4
Net Charge0
Average Mass400.559
Monoisotopic Mass400.26136
SMILESC/C1=C/C[C@@H]2[C@H](C(C(=O)O)C(=O)O)CC[C@@]2(C)C/C=C(\C)C/C=C2\[C@H]1CC[C@@H]2C
InChIInChI=1S/C25H36O4/c1-15-5-8-18-16(2)6-9-19(18)17(3)7-10-21-20(22(23(26)27)24(28)29)12-14-25(21,4)13-11-15/h7-8,11,16,19-22H,5-6,9-10,12-14H2,1-4H3,(H,26,27)(H,28,29)/b15-11+,17-7-,18-8-/t16-,19-,20+,21+,25+/m0/s1
InChIKeyOVLRNGJHUUCIHT-ZECXTTRPSA-N
ChEBI Ontology
Outgoing Relation(s)
Betaestacin II (CHEBI:217820) is a sesterterpenoid (CHEBI:26660)
IUPAC Name 
2-[(1S,2Z,5R,6R,9S,11E,14E,16S)-2,9,12,16-tetramethyl-6-tricyclo[13.3.0.05,9]octadeca-2,11,14-trienyl]propanedioic acid
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