Q105361364

chemical compound

Wikidata entity: Q105361364

C₄₈H₇₄O₂₁ (P274)

Quantities

P2067mass986.472259388

P233 canonical SMILES String O=CC1(C)C(OC2OC(C(=O)O)C(O)C(OC3OC(CO)C(O)C(O)C3O)C2OC4OC(CO)C(O)C(O)C4O)CCC5(C)C1CCC6(C)C5CC=C7C8CC(C)(C)CCC8(C(=O)O)C(O)CC76C ???
P703 found in taxon ... Q6674187 (Gypsophila oldhamiana) Gypsophila oldhamiana
P31 instance of ... Q113145171 (type of chemical entity) type of chemical entity
P2017 isomeric SMILES String CC1(C)CC[C@@]2(C(=O)O)[C@@H](C1)C1=CC[C@@H]3[C@@]4(C)CC[C@H](O[C@@H]5O[C@H](C(=O)O)[C@@H](O)[C@H](O[C@@H]6O[C@H](CO)[C@H](O)[C@H](O)[C@H]6O)[C@H]5O[C@@H]5O[C@H](CO)[C@H](O)[C@H](O)[C@H]5O)[C@@](C)(C=O)[C@@H]4CC[C@@]3(C)[C@]1(C)C[C@H]2O ???
P279 subclass of ... Q105361362 (6-[(8a-Carboxy-4-formyl-8-hydroxy-4,6a,6b,11,11,14b-hexamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl)oxy]-3-hydroxy-4,5-bis[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy]oxane-2-carboxylic acid) 6-[(8a-Carboxy-4-formyl-8-hydroxy-4,6a,6b,11,11,14b-hexamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl)oxy]-3-hydroxy-4,5-bis[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy]oxane-2-carboxylic acid
External Ids
P234InChIInChI=1S/C48H74O21/c1-43(2)13-14-48(42(62)63)21(15-43)20-7-8-25-44(3)11-10-27(45(4,19-51)24(44)9-12-46(25,5)47(20,6)16-26(48)52)66-41-37(69-40-33(58)31(56)29(54)23(18-50)65-40)35(34(59)36(68-41)38(60)61)67-39-32(57)30(55)28(53)22(17-49)64-39/h7,19,21-37,39-41,49-50,52-59H,8-18H2,1-6H3,(H,60,61)(H,62,63)/t21-,22+,23+,24+,25+,26+,27-,28-,29-,30-,31-,32+,33+,34-,35-,36-,37+,39-,40-,41+,44-,45-,46+,47+,48+/m0/s1
P235InChIKeyYTFDABRYMDDCFK-YEGSMWMSSA-N
P662PubChem CID163020106

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