(Q105143729)

English

11-hydroxy-6-[(5E)-7-hydroxy-6-methylhept-5-en-2-yl]-3-methyl-2-oxatricyclo[7.4.0.0³,⁷]trideca-1(9),5-dien-10-one

group of stereoisomers with the chemical formula C₂₁H₃₀O₄

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Statements

group of stereoisomers

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chemical compound

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346.21440943999994 dalton

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based on heuristic

inferred from SMILES

chemical formula

C₂₁H₃₀O₄

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canonical SMILES

O=C1C2=C(OC3(C)CC=C(C(C)CCC=C(C)CO)C3C2)CCC1O

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isomeric SMILES

C/C(=C\CCC(C)C1=CCC2(C)OC3=C(CC12)C(=O)C(O)CC3)CO

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Identifiers

InChI=1S/C21H30O4/c1-13(12-22)5-4-6-14(2)15-9-10-21(3)17(15)11-16-19(25-21)8-7-18(23)20(16)24/h5,9,14,17-18,22-23H,4,6-8,10-12H2,1-3H3/b13-5+

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KOATXBNOVXBDJE-WLRTZDKTSA-N

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1 reference

matched by identifier from

KOATXBNOVXBDJE-WLRTZDKTSA-N

mapping relation type

2 references

ChEBI release 2022-06-13

matched by identifier from

International Chemical Identifier

InChI=1S/C21H30O4/c1-13(12-22)5-4-6-14(2)15-9-10-21(3)17(15)11-16-19(25-21)8-7-18(23)20(16)24/h5,9,14,17-18,22-23H,4,6-8,10-12H2,1-3H3/b13-5+

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