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Concept information

Preferred term

rugulotrosin a  

Type

  • http://www.irandoc.ac.ir/onto/irandoc-meta/Concept

Broader concept

charge

  • 0

formula

  • C32H30O14

inchi

  • InChI=1S/C32H30O14/c1-11-9-15-21(27(39)23-13(33)5-7-17(35)31(23,45-15)29(41)43-3)25(37)19(11)20-12(2)10-16-22(26(20)38)28(40)24-14(34)6-8-18(36)32(24,46-16)30(42)44-4/h9-10,17-18,35-40H,5-8H2,1-4H3/t17-,18-,31+,32+/m1/s1

inchikey

  • FCBFXINPLHGRFE-OBXOASMOSA-N

mass

  • 638.578

monoisotopicmass

  • 638.16356

smiles

  • O=C1C2=C(O)C3=C(O)C(C4=C(O)C=5C(O)=C6C(=O)CC[C@H]([C@]6(C(=O)OC)OC5C=C4C)O)=C(C)C=C3O[C@@]2(C(=O)OC)[C@H](O)CC1

subset

  • 2_STAR

synonym EXACT

  • methyl (4R,4aR)-7-[(5R,10aR)-1,5,9-trihydroxy-10a-methoxycarbonyl-3-methyl-8-oxo-6,7-dihydro-5H-xanthen-2-yl]-4,8,9-trihydroxy-6-methyl-1-oxo-3,4-dihydro-2H-xanthene-4a-carboxylate

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:200029

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