CHEBI:70549 - huratoxin

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name huratoxin
ChEBI ID CHEBI:70549
Stars This entity has been manually annotated by a third party.
Secondary ChEBI IDs CHEBI:5771
Supplier Information
Download Molfile XML SDF
Formulae C34H48O8
C34H48O8
Net Charge 0
Average Mass 584.74010
Monoisotopic Mass 584.33492
InChI InChI=1S/C34H48O8/c1-6-7-8-9-10-11-12-13-14-15-16-17-32-40-27-25-28-31(20-35,39-28)29(37)33(38)24(18-22(4)26(33)36)34(25,42-32)23(5)19-30(27,41-32)21(2)3/h14-18,23-25,27-29,35,37-38H,2,6-13,19-20H2,1,3-5H3/b15-14+,17-16+/t23-,24-,25-,27-,28+,29-,30-,31+,32?,33-,34+/m1/s1
InChIKey VWGORPXMXKBHER-GPLJIMSFSA-N
SMILES [H][C@@]12O[C@]1(CO)[C@@H](O)[C@]1(O)C(=O)C(C)=C[C@@]1([H])[C@]13O[C@]4(O[C@H]([C@]21[H])[C@](C[C@H]3C)(O4)C(C)=C)\C=C\C=C\CCCCCCCCC
Metabolite of Species Details
Pimelea elongata (IPNI:74472-3) Found in foliage leaf (PO:0009025). Airdried and milled foliage was soaked in 90% MeOH and extracted with MeOH See: PubMed
Roles Classification
Biological Role(s): metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing huratoxin (CHEBI:70549) has role metabolite (CHEBI:25212)
huratoxin (CHEBI:70549) is a organic molecular entity (CHEBI:50860)
Synonym Source
Huratoxin KEGG COMPOUND
Manual Xrefs Databases
C00003435 KNApSAcK
C09108 KEGG COMPOUND
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Registry Numbers Types Sources
33465-16-6 CAS Registry Number KEGG COMPOUND
33465-16-6 CAS Registry Number ChemIDplus
Citation Waiting for Citations Type Source
21049973 PubMed citation Europe PMC
Last Modified
28 July 2014