hypericin

Chemical Formula:

C₃₀H₁₄O₈

Molecular Weight:

502.436 Daltons

Monoisotopic Mass:

504.0845174904 Daltons

SMILES:

CC3(=CC(=C2(C(C1(=C(C=C(C5(=C1C4(C2=C3C6(=C7(C=4C8(C5=C(C=C(C(C(C(=C(C=C6C)O)7)=O)=8)O)[O-]))))))[O-])O))=O))O)

InChI:

1S/C30H16O8/c1-7-3-9(31)19-23-15(7)16-8(2)4-10(32)20-24(16)28-26-18(12(34)6-14(36)22(26)30(20)38)17-11(33)5-13(35)21(29(19)37)25(17)27(23)28/h3-6,31-36H,1-2H3/p-2

InChIKey:

BTXNYTINYBABQR-UHFFFAOYSA-L

Synonyms

cyclosan
hypericum red
cyclo werrol
cyclo-Werol

Databases

MetaCyc: CPD-9562

HMDB: HMDB34271

LIPID MAPS: LMPK13040001

KNApSAcK: C00002829

CAS: 548-04-9

ChEBI: 5835

KEGG: C07606

PubChem (CID): 25202775 135926592

Seed: cpd04770

MetaNetX: MNXM18607