CHEBI:224039 - Aintennol F

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 Aintennol F
ChEBI ID CHEBI:224039
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information ZINC000004097885
Download Molfile XML SDF
Formula C22H26O4
Net Charge 0
Average Mass 354.446
Monoisotopic Mass 354.18311
InChI InChI=1S/C22H26O4/c1-10(2)6-7-12-8-15-19(24)21(25)22(4,5)26-20(15)17-16(12)13-9-14(11(13)3)18(17)23/h6,8,11,13-14,21,25H,7,9H2,1-5H3/t11-,13-,14+,21-/m1/s1
InChIKey YRDFJEHXATZPAY-AQAANPNCSA-N
SMILES O=C1C2=C(OC([C@@H]1O)(C)C)C=3C(=O)[C@@H]4[C@H](C)[C@H](C3C(=C2)CC=C(C)C)C4
ChEBI Ontology
Outgoing Aintennol F (CHEBI:224039) is a organic heterotricyclic compound (CHEBI:26979)
Aintennol F (CHEBI:224039) is a organooxygen compound (CHEBI:36963)
IUPAC Name
(1R,7S,13S,14R)-7-hydroxy-8,8,14-trimethyl-3-(3-methylbut-2-enyl)-9-oxatetracyclo[11.1.1.02,11.05,10]pentadeca-2(11),3,5(10)-triene-6,12-dione
Manual Xref Database
128443662 ChemSpider
View more database links