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CHEBI:217826 - Betaestacin III

ChEBI IDCHEBI:217826
ChEBI NameBetaestacin III
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SubmitterMetaboLights
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FormulaC25H40O
Net Charge0
Average Mass356.594
Monoisotopic Mass356.30792
SMILESC/C1=C/C[C@@H]2[C@H]([C@H](C)CO)CC[C@@]2(C)C/C=C(\C)C/C=C2\[C@H]1CC[C@@H]2C
InChIInChI=1S/C25H40O/c1-17-6-9-21-18(2)7-10-22(21)19(3)8-11-24-23(20(4)16-26)13-15-25(24,5)14-12-17/h8-9,12,18,20,22-24,26H,6-7,10-11,13-16H2,1-5H3/b17-12+,19-8-,21-9-/t18-,20+,22-,23-,24+,25+/m0/s1
InChIKeyRTSBHYOVQSBPLR-MQQCBZHFSA-N
ChEBI Ontology
Outgoing Relation(s)
Betaestacin III (CHEBI:217826) is a sesterterpenoid (CHEBI:26660)
IUPAC Name 
(2S)-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]propan-1-ol
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