Q105303236

chemical compound

Wikidata entity: Q105303236

C₈₂H₅₄O₅₁ (P274)



Quantities

P2067mass1854.163197348

P233 canonical SMILES String O=C1OCC(OC(=O)C2=CC(O)=C(O)C(O)=C2)C(OC(=O)C3=CC(O)=C(O)C(O)=C3C4=C(O)C(O)=C(O)C=C14)C5OC(=O)C6=CC(O)=C(O)C(O)=C6C7=C(O)C(O)=C(O)C8=C7C(=O)OC5C8C9=C(O)C(O)=C(O)C=C9C(=O)OC%10COC(=O)C%11=CC(O)=C(O)C(O)=C%11C%12=C(O)C(O)=C(O)C=C%12C(=O)OC%10C%13OC(=O)C%14=CC(O)=C(O)C(O)=C%14C%15=C(O)C(O)=C(O)C%16=C%15C(=O)OC%13C%16O ???
P703 found in taxon ... Q290022 (Melaleuca squarrosa) Melaleuca squarrosa
P703 found in taxon ... Q367242 (Elaeagnus umbellata) Elaeagnus umbellata
P31 instance of ... Q113145171 (type of chemical entity) type of chemical entity
P2017 isomeric SMILES String O=C(O[C@@H]1COC(=O)c2cc(O)c(O)c(O)c2-c2c(cc(O)c(O)c2O)C(=O)O[C@H]1[C@@H]1OC(=O)c2cc(O)c(O)c(O)c2-c2c(O)c(O)c(O)c3c2C(=O)O[C@H]1[C@H]3c1c(C(=O)O[C@@H]2COC(=O)c3cc(O)c(O)c(O)c3-c3c(cc(O)c(O)c3O)C(=O)O[C@H]2[C@@H]2OC(=O)c3cc(O)c(O)c(O)c3-c3c(O)c(O)c(O)c4c3C(=O)O[C@H]2[C@@H]4O)cc(O)c(O)c1O)c1cc(O)c(O)c(O)c1 ???
P3364 stereoisomer of ... Q105303237 (Casuglaunin A) Casuglaunin A
P279 subclass of ... Q105303235 (???) ???

External Ids
P234InChIInChI=1S/C82H54O51/c83-20-1-12(2-21(84)45(20)92)73(114)126-29-10-124-74(115)13-3-22(85)46(93)53(100)31(13)33-15(5-24(87)48(95)55(33)102)77(118)128-67(29)71-69-41(40-42(81(122)130-69)38(60(107)65(112)62(40)109)35-17(79(120)132-71)7-26(89)50(97)57(35)104)37-19(9-28(91)52(99)59(37)106)76(117)127-30-11-125-75(116)14-4-23(86)47(94)54(101)32(14)34-16(6-25(88)49(96)56(34)103)78(119)129-68(30)72-70-64(111)44-43(82(123)131-70)39(61(108)66(113)63(44)110)36-18(80(121)133-72)8-27(90)51(98)58(36)105/h1-9,29-30,41,64,67-72,83-113H,10-11H2/t29-,30-,41+,64-,67-,68-,69+,70+,71+,72+/m1/s1
P235InChIKeyWEOZNYSGUFZYKD-UUCAQAKPSA-N
P662PubChem CID163192024

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