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CHEBI:140138 - isograyanotoxin II

Default Structure
ChEBI IDCHEBI:140138
ChEBI Nameisograyanotoxin II
Stars
Last Modified13 February 2018
Submittermwilliams
DownloadsMolfile
FormulaC20H32O5
Net Charge0
Average Mass352.471
Monoisotopic Mass352.22497
SMILES[H][C@@]12C[C@H](O)C(C)(C)[C@@]1(O)[C@H](O)C[C@]13C[C@@](C)(O)[C@H](CCC1=C2C)[C@H]3O
InChIInChI=1S/C20H32O5/c1-10-11-5-6-12-16(23)19(11,9-18(12,4)24)8-15(22)20(25)13(10)7-14(21)17(20,2)3/h12-16,21-25H,5-9H2,1-4H3/t12-,13+,14+,15-,16-,18-,19+,20+/m1/s1
InChIKeyLLNZGRNLXLQFAC-KLKQSVAXSA-N
ChEBI Ontology
Outgoing Relation(s)
isograyanotoxin II (CHEBI:140138) is a tertiary alcohol (CHEBI:26878)
Manual XrefsDatabases
LMPR0104180002LIPID MAPS