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CHEBI:217855 - Betaestacin VI

ChEBI IDCHEBI:217855
ChEBI NameBetaestacin VI
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SubmitterMetaboLights
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FormulaC25H38O3
Net Charge0
Average Mass386.576
Monoisotopic Mass386.28210
SMILESC/C1=C/C[C@@H]2[C@H]([C@H](C)C(=O)O)CC[C@@]2(C)C/C=C(\C)C[C@H](O)C2=C1CC[C@@H]2C
InChIInChI=1S/C25H38O3/c1-15-10-12-25(5)13-11-20(18(4)24(27)28)21(25)9-7-16(2)19-8-6-17(3)23(19)22(26)14-15/h7,10,17-18,20-22,26H,6,8-9,11-14H2,1-5H3,(H,27,28)/b15-10+,16-7-/t17-,18-,20-,21+,22-,25+/m0/s1
InChIKeyLPOGMXYYGXHTNB-PHRONPMJSA-N
ChEBI Ontology
Outgoing Relation(s)
Betaestacin VI (CHEBI:217855) is a sesterterpenoid (CHEBI:26660)
IUPAC Name 
(2S)-2-[(2Z,5R,6R,9S,11E,14S,16S)-14-hydroxy-2,9,12,16-tetramethyl-6-tricyclo[13.3.0.05,9]octadeca-1(15),2,11-trienyl]propanoic acid
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