Concept information
Preferred term
(2s,3r,4s,5s,6r)-2-[[(2r,3s,4r,5r,6r)-3-[(2r,3r,4r,5s,6r)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-6-[(2r,3s,4r,5r,6r)-6-[(2r,3s,4r,5r,6r)-4,5-dihydroxy-2-(hydroxymethyl)-6-[(2r,3s,4r,5r)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxan-3-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxyoxan-2-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
Type
-
http://www.irandoc.ac.ir/onto/irandoc-meta/Concept
Broader concept
charge
- 0
formula
- C42H72O36
inchi
- InChI=1S/C42H72O36/c43-1-8-15(49)17(51)25(59)37(68-8)66-7-14-35(78-41-29(63)22(56)32(11(4-46)72-41)75-38-26(60)18(52)16(50)9(2-44)69-38)23(57)30(64)42(73-14)77-34-13(6-48)71-40(28(62)21(34)55)76-33-12(5-47)70-39(27(61)20(33)54)74-31-10(3-45)67-36(65)24(58)19(31)53/h8-65H,1-7H2/t8-,9-,10-,11-,12-,13-,14-,15-,16-,17+,18+,19-,20-,21-,22-,23-,24-,25-,26-,27-,28-,29-,30-,31-,32-,33-,34-,35-,36?,37+,38-,39-,40-,41-,42-/m1/s1
inchikey
- MHUHGILICAUBBM-MBQDTMIWSA-N
mass
- 1153.002
monoisotopicmass
- 1152.38033
smiles
- O([C@H]1[C@H](O)[C@@H](O)[C@H](O[C@@H]1CO)O[C@H]2[C@H](O)[C@@H](O)[C@H](O[C@@H]2CO)O[C@H]3[C@H](O)[C@@H](O)C(O[C@@H]3CO)O)[C@H]4O[C@@H]([C@@H](O[C@H]5O[C@@H]([C@@H](O[C@H]6O[C@@H]([C@@H](O)[C@H](O)[C@H]6O)CO)[C@H](O)[C@H]5O)CO)[C@H](O)[C@H]4O)CO[C@H]7O[C@@H]([C@@H](O)[C@H](O)[C@H]7O)CO
subset
- 2_STAR
synonym RELATED
- alpha-D-gluco-hexopyranosyl-(1->4)-alpha-D-gluco-hexopyranosyl-(1->4)-[alpha-D-gluco-hexopyranosyl-(1->6)]-alpha-D-gluco-hexopyranosyl-(1->4)-alpha-D-gluco-hexopyranosyl-(1->4)-alpha-D-gluco-hexopyranosyl-(1->4)-D-gluco-hexopyranose
- Glc(a1-4)Glc(a1-4)[Glc(a1-6)]Glc(a1-4)Glc(a1-4)Glc(a1-4)Glc
- WURCS=2.0/2,7,6/[a2122h-1x_1-5][a2122h-1a_1-5]/1-2-2-2-2-2-2/a4-b1_b4-c1_c4-d1_d4-e1_d6-g1_e4-f1
URI
http://www.irandoc.acir/onto/irandoc/CHEBI:150656
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