Terminology Service < Semantic Lookup Platform

ciguatoxin HIJKLM cyclic acetal

http://purl.obolibrary.org/obo/CHEBI_61270

A polycyclic ether comprising a linear sequence of sequence of six trans-fused oxacycles and one spiro-fused tetrahydrofuran ring.

Tree view

Term info

Label

ciguatoxin HIJKLM cyclic acetal

Synonyms

[(4'S,4aS,5aR,7R,8aS,9aR,10S,11S,11aS,13R,14S,15S,15aR,16aS,17aR,18aS,19aR)-4',11-dihydroxy-4a,7,10,14,15-pentamethyldocosahydro-3'H-spiro[1,3-dioxino[4',5':5,6]pyrano[3,2-b]pyrano[2'',3'':6',7']oxepino[2',3':5,6]pyrano[2,3-g]oxocine-13,2'-furan]-2-yl]acetic acid

database cross reference

Subsets

3_STAR

IUPAC NAME

[(4'S,4aS,5aR,7R,8aS,9aR,10S,11S,11aS,13R,14S,15S,15aR,16aS,17aR,18aS,19aR)-4',11-dihydroxy-4a,7,10,14,15-pentamethyldocosahydro-3'H-spiro[1,3-dioxino[4',5':5,6]pyrano[3,2-b]pyrano[2'',3'':6',7']oxepino[2',3':5,6]pyrano[2,3-g]oxocine-13,2'-furan]-2-yl]acetic acid [ IUPAC ]

charge

formula

C32H50O12

has obo namespace

chebi_ontology

CHEBI:61270

inchi

InChI=1S/C32H50O12/c1-14-6-19-20(39-21-9-24-31(5,43-22(21)7-14)13-37-26(42-24)10-25(34)35)8-23-28(40-19)16(3)27(36)30-29(41-23)15(2)17(4)32(44-30)11-18(33)12-38-32/h14-24,26-30,33,36H,6-13H2,1-5H3,(H,34,35)/t14-,15+,16+,17+,18+,19+,20-,21+,22-,23+,24-,26?,27+,28-,29-,30+,31+,32-/m1/s1

inchikey

JRRGAIHPWWMUAF-OZCQQQCSSA-N

mass

626.73220

monoisotopicmass

626.33023

smiles

[H][C@]12C[C@@H](C)C[C@@]3([H])O[C@@]4(C)COC(CC(O)=O)O[C@]4([H])C[C@]3([H])O[C@]1([H])C[C@]1([H])O[C@]3([H])[C@@H](C)[C@H](C)[C@@]4(C[C@H](O)CO4)O[C@@]3([H])[C@@H](O)[C@H](C)[C@@]1([H])O2

Term relations

Subclass of: