(Q105035522)

English

Syzyginin A

group of stereoisomers with the chemical formula C₄₈H₃₄O₃₁

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Statements

group of stereoisomers

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chemical compound

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1,106.1084043080007 dalton

1 reference

based on heuristic

inferred from InChI

chemical formula

C₄₈H₃₄O₃₁

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canonical SMILES

O=C(O)C1=CC(O)=C(O)C(O)=C1OC2=C(O)C=C3C(=O)OCC4OC(OC(=O)C5=CC(O)=C(O)C(O)=C5)C(OC(=O)C6=CC(O)=C(O)C(O)=C6)C(OC(=O)C7=CC(O)=C(O)C(O)=C7)C4OC(=O)C=8C=C(O)C(O)=C(O)C8C3=C2O

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Identifiers

InChI=1S/C48H34O31/c49-17-1-11(2-18(50)29(17)58)43(68)77-40-39-26(74-48(79-45(70)13-5-21(53)31(60)22(54)6-13)41(40)78-44(69)12-3-19(51)30(59)20(52)4-12)10-73-46(71)14-8-25(57)38(75-37-16(42(66)67)9-24(56)33(62)36(37)65)35(64)28(14)27-15(47(72)76-39)7-23(55)32(61)34(27)63/h1-9,26,39-41,48-65H,10H2,(H,66,67)

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HYXQWPAKDBAJLB-UHFFFAOYSA-N

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CAS Registry Number

1 reference

CAS (formerly Chemical Abstracts Service)

25 January 2022

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26 December 2021

matched by identifier from

HYXQWPAKDBAJLB-UHFFFAOYSA-N

UniChem compound ID

1 reference

DSSTox substance ID

DTXSID501098936

1 reference

matched by identifier from

HYXQWPAKDBAJLB-UHFFFAOYSA-N

Human Metabolome Database ID

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

HYXQWPAKDBAJLB-UHFFFAOYSA-N

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