Concept information
Preferred term
[6-[[(6s,7r)-7-[(1s,3s,4r)-3,4-dihydroxy-1-methoxy-2-oxopentyl]-4,10-dihydroxy-6-[5-hydroxy-4-[5-hydroxy-4-(4-hydroxy-4,5,6-trimethyloxan-2-yl)oxy-6-methyloxan-2-yl]oxy-6-methyloxan-2-yl]oxy-3-methyl-5-oxo-7,8-dihydro-6h-anthracen-2-yl]oxy]-4-(4-hydroxy-5-methoxy-6-methyloxan-2-yl)oxy-2-methyloxan-3-yl] acetate
Type
-
http://www.irandoc.ac.ir/onto/irandoc-meta/Concept
Broader concept
charge
- 0
formula
- C56H82O24
inchi
- InChI=1S/C56H82O24/c1-21-34(76-40-19-37(53(28(8)74-40)75-29(9)58)79-38-16-33(59)52(68-11)27(7)73-38)15-31-13-30-14-32(54(69-12)51(66)46(61)23(3)57)55(50(65)44(30)49(64)43(31)45(21)60)80-41-18-35(47(62)26(6)72-41)77-39-17-36(48(63)25(5)71-39)78-42-20-56(10,67)22(2)24(4)70-42/h13,15,22-28,32-33,35-42,46-48,52-55,57,59-64,67H,14,16-20H2,1-12H3/t22?,23-,24?,25?,26?,27?,28?,32-,33?,35?,36?,37?,38?,39?,40?,41?,42?,46+,47?,48?,52?,53?,54+,55+,56?/m1/s1
inchikey
- LNGHEQSPMNWBCU-RUGPHKIXSA-N
mass
- 1139.238
monoisotopicmass
- 1138.51960
smiles
- CC1C(OC(CC1(C)O)OC2CC(OC(C2O)C)OC3CC(OC(C3O)C)O[C@H]4[C@H](CC5=C(C4=O)C(=C6C(=C5)C=C(C(=C6O)C)OC7CC(C(C(O7)C)OC(=O)C)OC8CC(C(C(O8)C)OC)O)O)[C@@H](C(=O)[C@H]([C@@H](C)O)O)OC)C
subset
- 2_STAR
URI
http://www.irandoc.acir/onto/irandoc/CHEBI:94324
{{label}}
{{#each values }} {{! loop through ConceptPropertyValue objects }}
{{#if prefLabel }}
{{/if}}
{{/each}}
{{#if notation }}{{ notation }} {{/if}}{{ prefLabel }}
{{#ifDifferentLabelLang lang }} ({{ lang }}){{/ifDifferentLabelLang}}
{{#if vocabName }}
{{ vocabName }}
{{/if}}

