protohypericin

Chemical Formula:

C₃₀H₁₆O₈

Molecular Weight:

504.452 Daltons

Monoisotopic Mass:

506.1001675546 Daltons

SMILES:

CC1(=CC2(C5(C3(=C(C(=CC(=C(C(C(C(=C1)O)=2)=O)3)O)[O-])C4(C(=CC(=C6(C=4C=5C7(C=C(C=C(C(C6=O)=7)O)C)))O)[O-])))))

InChI:

1S/C30H18O8/c1-9-3-11-19(13(31)5-9)29(37)25-17(35)7-15(33)23-24-16(34)8-18(36)26-28(24)22(21(11)27(23)25)12-4-10(2)6-14(32)20(12)30(26)38/h3-8,31-36H,1-2H3/p-2

InChIKey:

YLILOANQCQKPOD-UHFFFAOYSA-L

Synonyms

1,3,4,6,8,15-Hexahydroxy-10,13-dimethyl-dibenzo[a,o]perylene-7,16-dione

Databases

MetaCyc: CPD-9561

PubChem (CID): 25202151 135926570

Seed: cpd25733

HMDB: HMDB34180

MetaNetX: MNXM12793