(Q105299827)

English

(3S,3aR,4S,6S,6aR,9aR,9bR)-4-hydroxy-9-(hydroxymethyl)-6-methoxy-3,6-dimethyl-3a,4,5,6a,9a,9b-hexahydro-3H-azuleno[4,5-b]furan-2,7-dione

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

4-hydroxy-9-(hydroxymethyl)-6-methoxy-3,6-dimethyl-3a,4,5,6a,9a,9b-hexahydro-3H-azuleno[4,5-b]furan-2,7-dione

1 reference

based on heuristic

inferred from SMILES

mass

310.141638424 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₁₆H₂₂O₆

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canonical SMILES

O=C1OC2C3C(=CC(=O)C3C(OC)(C)CC(O)C2C1C)CO

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isomeric SMILES

CO[C@@]1(C)C[C@H](O)[C@H]2[C@H](C)C(=O)O[C@@H]2[C@H]2C(CO)=CC(=O)[C@H]21

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found in taxon

Cichorium endivia

1 reference

stated in

Sesquiterpenoids and phenolics from roots of Cichorium endivia var. crispum.

Identifiers

InChI

InChI=1S/C16H22O6/c1-7-11-10(19)5-16(2,21-3)13-9(18)4-8(6-17)12(13)14(11)22-15(7)20/h4,7,10-14,17,19H,5-6H2,1-3H3/t7-,10-,11+,12-,13+,14-,16-/m0/s1

0 references

InChIKey

VZLHZUGEKWONKT-DSFMRAQMSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

VZLHZUGEKWONKT-DSFMRAQMSA-N

(Q105299827)

(3S,3aR,4S,6S,6aR,9aR,9bR)-4-hydroxy-9-(hydroxymethyl)-6-methoxy-3,6-dimethyl-3a,4,5,6a,9a,9b-hexahydro-3H-azuleno[4,5-b]furan-2,7-dione

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Identifiers

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