Met003920: 12-chloroisoplagiochin D

Metabolite Information

Name

12-chloroisoplagiochin D

IUPAC Name

4-chloropentacyclo[20.2.2.110,14.115,19.02,7]octacosa-1(24),2,4,6,10(28),11,13,15,17,19(27),22,25-dodecaene-5,13,16,24-tetrol

Molecular Formula

C28H23ClO4

Molecular Weight

458.9

Exact Mass

458.1284869

SMILES

C1CC2=CC(=C(C=C2)C3=CC(=C(C=C3CCC4=CC(=C(C=C4)O)C5=C(C=CC1=C5)O)O)Cl)O

InChIKey

ZPHYFJROBBMHQA-UHFFFAOYSA-N

InChI

InChI=1S/C28H23ClO4/c29-24-15-21-19(14-28(24)33)7-3-17-6-10-26(31)23(12-17)22-11-16(5-9-25(22)30)1-2-18-4-8-20(21)27(32)13-18/h4-6,8-15,30-33H,1-3,7H2