(Q105101928)

English

CID 6436817

group of stereoisomers with the chemical formula C₂₁H₂₆O₉

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Statements

instance of

group of stereoisomers

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subclass of

germacrane sesquiterpenoid

1 reference

inferred from

germacrane sesquiterpenoid

mass

422.15768241199993 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₁H₂₆O₉

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canonical SMILES

O=C1OC2=CC3(OC(O)(CC3)C(O)(C)CC(OC(=O)C(=C)C)C2=C1COC(=O)C)C

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isomeric SMILES

C=C(C)C(=O)OC1CC(C)(O)C2(O)CCC(C)(/C=C3/OC(=O)C(COC(C)=O)=C31)O2

1 reference

based on heuristic

inferred from InChI

Identifiers

InChI

InChI=1S/C21H26O9/c1-11(2)17(23)28-15-9-20(5,25)21(26)7-6-19(4,30-21)8-14-16(15)13(18(24)29-14)10-27-12(3)22/h8,15,25-26H,1,6-7,9-10H2,2-5H3/b14-8+

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InChIKey

BZQDHZDSIXPDSS-RIYZIHGNSA-N

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2 references

26 December 2021

matched by identifier from

InChIKey

BZQDHZDSIXPDSS-RIYZIHGNSA-N

1 reference

(Q105101928)

CID 6436817

Statements

Identifiers

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