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actinorhodin

MNXM40192 is deprecated and here replaced by MNXM735472
!!! Alternative mappings exist !!!

Properties

Image

Occurences in reactions

MNX_ID

MNXM735472

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

formula

C₃₂H₂₆O₁₄

charge

mass

634.13226

reference

chebi:2448

InChIKey

FXTIILIJTTYSLT-WYUUTHIRSA-N

InChI

InChI=1S/C32H26O14/c1-9-21-15(3-11(45-9)5-19(35)36)29(41)23-17(33)7-13(27(39)25(23)31(21)43)14-8-18(34)24-26(28(14)40)32(44)22-10(2)46-12(6-20(37)38)4-16(22)30(24)42/h7-12,41-44H,3-6H2,1-2H3,(H,35,36)(H,37,38)/t9-,10-,11+,12+/m1/s1

SMILES

C[C@H]1O[C@H](CC(=O)O)Cc2c(O)c3c(c(O)c21)C(=O)C(C1=CC(=O)c2c(O)c4c(c(O)c2C1=O)[C@@H](C)O[C@H](CC(=O)O)C4)=CC3=O

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:2448 chebi:2448	actinorhodin 2,2'-[(1R,1'R,3S,3'S)-5,5',10,10'-tetrahydroxy-1,1'-dimethyl-6,6',9,9'-tetraoxo[3,3',4,4',6,6',9,9'-octahydro-1H,1'H-8,8'-binaphtho[2,3-c]pyran]-3,3'-diyl]diacetic acid Actinorhodin Actinorhodine
CHEBI:91020 chebi:91020	actinorhodin 2,2'-[(1R,1'R,3S,3'S)-5,5',10-trihydroxy-1,1'-dimethyl-10'-oxido-6,6',9,9'-tetraoxo[3,3',4,4',6,6',9,9'-octahydro-1H,1'H-8,8'-binaphtho[2,3-c]pyran]-3,3'-diyl]diacetate actinorhodin(3-)
envipath:...f130be7dfff6 envipathM:...f130be7dfff6	compound 0282288