Q105034882

chemical compound

Wikidata entity: Q105034882

C₅₂H₈₄O₂₁ (P274)

Quantities

P2067mass1044.550509708

P233 canonical SMILES String O=C(OC1OC(C)C(O)C(O)C1OC2OC(C)C(OC3OCC(O)C(O)C3O)C(OC4OC(CO)C(O)C(O)C4O)C2O)C56CCC(C)(C)CC6C7=CCC8C9(C)CCC(O)C(O)(C)C9CCC8(C)C7(C)CC5 ???
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 C[C@@H]1O[C@@H](O[C@H]2[C@H](OC(=O)[C@]34CCC(C)(C)C[C@H]3C3=CC[C@@H]5[C@@]6(C)CC[C@H](O)[C@@](C)(O)[C@@H]6CC[C@@]5(C)[C@]3(C)CC4)O[C@H](C)[C@H](O)[C@@H]2O)[C@H](O)[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H]1O[C@@H]1OC[C@@H](O)[C@H](O)[C@H]1O ???
P279 subclass of ... Q105034883 (???) ???
External Ids
P234InChIInChI=1S/C52H84O21/c1-22-31(56)35(60)41(72-44-38(63)40(71-43-37(62)34(59)33(58)27(20-53)69-43)39(23(2)68-44)70-42-36(61)32(57)26(54)21-66-42)45(67-22)73-46(64)52-17-15-47(3,4)19-25(52)24-9-10-28-48(5)13-12-30(55)51(8,65)29(48)11-14-50(28,7)49(24,6)16-18-52/h9,22-23,25-45,53-63,65H,10-21H2,1-8H3/t22-,23+,25+,26-,27-,28-,29-,30+,31+,32+,33-,34+,35+,36-,37-,38-,39+,40+,41-,42+,43+,44+,45+,48-,49-,50-,51+,52+/m1/s1
P235InChIKeyHWZPTIXERVONIK-AVXLETEGSA-N
P662PubChem CID16082058
P11089UniChem compound ID33632411

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