CHEBI:186117 - 2-Acetoxy-3-geranylgeranyl-1,4-dihydroxybenzene

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name 2-Acetoxy-3-geranylgeranyl-1,4-dihydroxybenzene
ChEBI ID CHEBI:186117
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C28H40O4
Net Charge 0
Average Mass 440.624
Monoisotopic Mass 440.29266
InChI InChI=1S/C28H40O4/c1-20(2)10-7-11-21(3)12-8-13-22(4)14-9-15-23(5)16-17-25-26(30)18-19-27(31)28(25)32-24(6)29/h10,12,14,16,18-19,30-31H,7-9,11,13,15,17H2,1-6H3/b21-12+,22-14+,23-16-
InChIKey VLLSMOKWYCNDEY-DCVNSYBLSA-N
SMILES O(C=1C(C/C=C(\CC\C=C(\CC\C=C(\CCC=C(C)C)/C)/C)/C)=C(O)C=CC1O)C(=O)C
Metabolite of Species Details
Mus musculus (NCBI:txid10090) Found in feces (BTO:0000440). of strain C57BL/6 Mouse [NCIT:C14424] See: MetaboLights Study
ChEBI Ontology
Outgoing 2-Acetoxy-3-geranylgeranyl-1,4-dihydroxybenzene (CHEBI:186117) is a diterpenoid (CHEBI:23849)
IUPAC Name
[3,6-dihydroxy-2-[(2Z,6E,10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenyl]phenyl] acetate
Manual Xrefs Databases
30777506 ChemSpider
HMDB0040748 HMDB
View more database links