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protohypericin

Properties

Image

Occurences in reactions

MNX_ID

MNXM12793

	#reac
in my sandbox	0
in MNXref (generic)	4
in models (compartimentalized)	0

formula

C₃₀H₁₆O₈

charge

-2

mass

504.08561

reference

metacycM:CPD-9561

InChIKey

YLILOANQCQKPOD-UHFFFAOYSA-L

InChI

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

SMILES

Cc1cc(O)c2c(=O)c3c(O)cc([O-])c4c5c([O-])cc(O)c6c(=O)c7c(O)cc(C)cc7c(c65)c(c2c1)c34

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
metacyc.compound:CPD-9561 metacycM:CPD-9561	protohypericin 1,3,4,6,8,15-Hexahydroxy-10,13-dimethyl-dibenzo[a,o]perylene-7,16-dione
seed.compound:cpd25733 seedM:cpd25733	1,3,4,6,8,15-Hexahydroxy-10,13-dimethyl-dibenzo[a,o]perylene-7,16-dione protohypericin
hmdb:HMDB0034180	Protohypericin 7,11,13,16,18,22-hexahydroxy-5,24-dimethylheptacyclo[13.11.1.1²,¹⁰.0³,⁸.0¹⁹,²⁷.0²¹,²⁶.0¹⁴,²⁸]octacosa-1(27),2(28),3(8),4,6,10,12,14,16,18,21(26),22,24-tridecaene-9,20-dione
hmdb:HMDB34180 seedM:M_cpd25733	secondary/obsolete/fantasy identifier