InCHi String:
InChI=1S/C19H22O6/c1-9-7-17-8-18(9,24)5-3-10(17)19-6-4-11(20)16(2,15(23)25-19)13(19)12(17)14(21)22/h4,6,10-13,20,24H,1,3,5,7-8H2,2H3,(H,21,22)/t10-,11+,12-,13-,16-,17+,18+,19-/m1/s1
canonical SMILES: CC12C(C=CC3(C1C(C45C3CCC(C4)(C(=C)C5)O)C(=O)O)OC2=O)O
isomeric SMILES: C[C@@]12[C@H](C=C[C@@]3([C@@H]1[C@@H]([C@]45[C@H]3CC[C@](C4)(C(=C)C5)O)C(=O)O)OC2=O)O
PUBCHEM iupac NAME2,7-Dihydroxy-1-methyl-8-methylene-13-oxo-1,2,4b,5,6,7,8,9,10,10a-decahydro-4a,1-(epoxymethano)-7,9a-methanobenzo[a]azulene-10-carboxylic acid
PubChem Substance (SID):
85165119 29204177 17389868PubChem Compound (CID):
6466KEGG: Compound ID
NCI-C55823CAS Registry IDs: 77-06-5 16202-20-3 7121-55-3 1405-96-5 58915-44-9 125-67-7
PDB Chemical Component
GA3Miscellaneous Databases and IDs:
Thomson Pharma 00373098
CCRIS 4820
ChemIDplus 000077065
R&D Chemicals 6536
ChemSpider 6223
DiscoveryGate 6466
EINECS 201-001-0
Caswell No. 467
NCGC NCGC00091033-01
EPA Pesticide Chemical Code 043801
HSDB 712
Sigma-Aldrich PS49_SUPELCO
Beilstein Handbook Reference 5-18-09-00269
Reference data were obtained primarily from the PubChem database.
Three dimensional molecular rendering uses Jmol.
