Concept information
Preferred term
methyl (4r,4as)-7-[(5r,6r,10as)-1,5,9-trihydroxy-10a-methoxycarbonyl-6-methyl-8-oxo-6,7-dihydro-5h-xanthen-4-yl]-4,8,9-trihydroxy-6-methyl-1-oxo-3,4-dihydro-2h-xanthene-4a-carboxylate
Type
-
http://www.irandoc.ac.ir/onto/irandoc-meta/Concept
Broader concept
charge
- 0
formula
- C32H30O14
inchi
- InChI=1S/C32H30O14/c1-11-10-17-21(26(39)22-15(34)7-8-18(36)31(22,45-17)29(41)43-3)24(37)19(11)13-5-6-14(33)20-25(38)23-16(35)9-12(2)28(40)32(23,30(42)44-4)46-27(13)20/h5-6,10,12,18,28,33,36-40H,7-9H2,1-4H3/t12-,18-,28-,31-,32+/m1/s1
inchikey
- RBOLEWXSTOYYEK-QJAVGOATSA-N
mass
- 638.578
monoisotopicmass
- 638.16356
smiles
- O=C1C2=C(O)C3=C(C(C4=C(O)C=5C(O)=C6C(=O)CC[C@H]([C@@]6(C(=O)OC)OC5C=C4C)O)=CC=C3O)O[C@]2(C(=O)OC)[C@H](O)[C@@H](C1)C
subset
- 2_STAR
synonym EXACT
- methyl (4R,4aS)-7-[(5R,6R,10aS)-1,5,9-trihydroxy-10a-methoxycarbonyl-6-methyl-8-oxo-6,7-dihydro-5H-xanthen-4-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:201117
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