8'-(3,4-dihydroxy-5-alkenyl)phenyl-3-[9'E,11'E,13'Z-pentadecatrienyl]catechol

Chemical Formula:

C₄₂H₅₈O₄

Molecular Weight:

626.918 Daltons

Monoisotopic Mass:

626.4335103502 Daltons

SMILES:

CC=CC=CC=CCCCCCCCCC1(=C(O)C(O)=CC(=C1)C(C=CC=CC=CC)CCCCCCCC2(C(O)=C(O)C=CC=2))

InChI:

1S/C42H58O4/c1-3-5-7-9-10-11-12-13-14-15-16-19-25-30-37-33-38(34-40(44)42(37)46)35(27-22-18-8-6-4-2)28-23-20-17-21-24-29-36-31-26-32-39(43)41(36)45/h3-11,18,22,26-27,31-35,43-46H,12-17,19-21,23-25,28-30H2,1-2H3/b5-3-,6-4-,9-7+,11-10-,18-8+,27-22+

InChIKey:

RRISDBXWLOLICW-VXLUQKRESA-N

Synonyms

urushiol dimer

Databases

MetaCyc: CPD-12632

PubChem (CID): 91820417

MetaNetX: MNXM15076