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ciguatoxin HIJKLM ring fragment

Go to external page http://purl.obolibrary.org/obo/CHEBI_61255

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

Term info

Label

ciguatoxin HIJKLM ring fragment

Synonyms
  • (2R,2'R,3'S,4S,4a'R,6'R,7a'S,8a'R,9'S,10'S,10a'S,13'S,14'S,14a'R,15a'S,16a'R,17a'S)-3'-(hydroxymethyl)-3',6',9',13',14'-pentamethylicosahydro-1'H,3H-spiro[furan-2,12'-pyrano[3,2-b]pyrano[2'',3'':6',7']oxepino[2',3':5,6]pyrano[2,3-g]oxocine]-2',4,10'-triol
database cross reference
Subsets

3_STAR

IUPAC NAME
(2R,2'R,3'S,4S,4a'R,6'R,7a'S,8a'R,9'S,10'S,10a'S,13'S,14'S,14a'R,15a'S,16a'R,17a'S)-3'-(hydroxymethyl)-3',6',9',13',14'-pentamethylicosahydro-1'H,3H-spiro[furan-2,12'-pyrano[3,2-b]pyrano[2'',3'':6',7']oxepino[2',3':5,6]pyrano[2,3-g]oxocine]-2',4,10'-triol [ IUPAC ]

charge

0

formula

C29H48O10

has obo namespace

chebi_ontology

id

CHEBI:61255

inchi

InChI=1S/C29H48O10/c1-13-6-18-19(35-20-9-23(32)28(5,12-30)38-21(20)7-13)8-22-25(36-18)15(3)24(33)27-26(37-22)14(2)16(4)29(39-27)10-17(31)11-34-29/h13-27,30-33H,6-12H2,1-5H3/t13-,14+,15+,16+,17+,18+,19-,20+,21-,22+,23-,24+,25-,26-,27+,28+,29-/m1/s1

inchikey

SKGLZUAKKRKQLC-JGHKTXDHSA-N

mass

556.68540

monoisotopicmass

556.32475

smiles

[H][C@]12C[C@@H](C)C[C@@]3([H])O[C@@](C)(CO)[C@H](O)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: