(Q105124603)

English

[9-methyl-3,6-dimethylidene-2-oxo-8-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4,5,6a,7,9a,9b-hexahydro-3aH-azuleno[4,5-b]furan-4-yl] 2-hydroxy-3-(4-hydroxyphenyl)propanoate

group of stereoisomers with the chemical formula C₃₀H₃₆O₁₂

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instance of

group of stereoisomers

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subclass of

guaiane sesquiterpenoid

1 reference

inferred from

guaiane sesquiterpenoid

mass

588.2206765919998 dalton

1 reference

based on heuristic

inferred from InChI

chemical formula

C₃₀H₃₆O₁₂

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canonical SMILES

O=C1OC2C(C1=C)C(OC(=O)C(O)CC3=CC=C(O)C=C3)CC(=C)C4CC(OC5OC(CO)C(O)C(O)C5O)=C(C)C24

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Identifiers

InChI

InChI=1S/C30H36O12/c1-12-8-20(39-29(38)18(33)9-15-4-6-16(32)7-5-15)23-14(3)28(37)42-27(23)22-13(2)19(10-17(12)22)40-30-26(36)25(35)24(34)21(11-31)41-30/h4-7,17-18,20-27,30-36H,1,3,8-11H2,2H3

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InChIKey

JBVIPCMYVQEGIS-UHFFFAOYSA-N

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PubChem CID

85183728

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

JBVIPCMYVQEGIS-UHFFFAOYSA-N

(Q105124603)

[9-methyl-3,6-dimethylidene-2-oxo-8-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4,5,6a,7,9a,9b-hexahydro-3aH-azuleno[4,5-b]furan-4-yl] 2-hydroxy-3-(4-hydroxyphenyl)propanoate

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