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protoaphin aglucone

Properties

Image

Occurences in reactions

MNX_ID

MNXM4793

	#reac
in my sandbox	0
in MNXref (generic)	1
in models (compartimentalized)	0

formula

C₃₀H₂₇O₁₁

charge

-1

mass

563.15589

reference

chebi:77643

InChIKey

KLZOEWZFKUESNU-UYFDZFGUSA-M

InChI

InChI=1S/C30H28O11/c1-8-17-23(26(35)10(3)40-8)20(13-5-12(31)6-14(32)19(13)28(17)37)21-15(33)7-16(34)22-24(21)30(39)25-18(29(22)38)9(2)41-11(4)27(25)36/h5-11,26-27,31-37H,1-4H3/p-1/t8-,9-,10-,11-,26-,27-/m1/s1

SMILES

C[C@H]1O[C@H](C)[C@@H](O)C2=C1C(=O)c1c(O)cc([O-])c(-c3c4c(c(O)c5c(O)cc(O)cc35)[C@@H](C)O[C@H](C)[C@H]4O)c1C2=O

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:77643 chebi:77643	protoaphin aglucone (1R,1'R,3R,3'R,4S,4'S)-4,4',7,9,9',10-hexahydroxy-1,1',3,3'-tetramethyl-5',10'-dioxo-3,3',4,4',5',10'-hexahydro-1H,1'H-5,6'-bibenzo[g]isochromen-7'-olate protoaphin aglucone(1-)
kegg.compound:C02879 keggC:C02879	Protoaphin aglucone Protoaphin aglycone
seed.compound:cpd12211 seedM:cpd12211	Protoaphin aglucone Protoaphin aglycone protoaphin aglucone
metacyc.compound:PROTOAPHIN-AGLUCONE metacycM:PROTOAPHIN-AGLUCONE	protoaphin aglucone
CHEBI:15795 chebi:15795	protoaphin aglucone (1R,1'R,3R,3'R,4S,4'S)-4,4',7,7',9,9',10-heptahydroxy-1,1',3,3'-tetramethyl-3,3',4,4'-tetrahydro-1H,1'H-5,6'-binaphtho[2,3-c]pyran-5',10'-dione Protoaphin aglucone protaphin aglucone protaphin aglycone protoaphin aglycone
chebi:14954 chebi:26352 chebi:8586 keggC:M_C02879 seedM:M_cpd12211	secondary/obsolete/fantasy identifier