(Q104395307)

English

Deacetylkellerin

chemical compound

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Statements

instance of

type of chemical entity

0 references

1 reference

7-[[(2S,4aS,6S)-2,6-dihydroxy-2,5,5,8a-tetramethyl-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]methoxy]chromen-2-one

1 reference

based on heuristic

inferred from SMILES

mass

400.224974124 dalton

1 reference

2 references

inferred from InChIKey

2 references

inferred from InChIKey

based on heuristic

inferred from InChI

7-[[(1S,2R,4aR,6R,8aR)-2,6-dihydroxy-2,5,5,8a-tetramethyl-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]methoxy]chromen-2-one

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

7-[[(1R,2S,4aS,6R,8aR)-2,6-dihydroxy-2,5,5,8a-tetramethyl-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]methoxy]chromen-2-one

2 references

based on heuristic

inferred from InChIKey

1 reference

1 reference

1 reference

7-[[(1S,2R,4aR,6S,8aR)-2,6-dihydroxy-2,5,5,8a-tetramethyl-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]methoxy]chromen-2-one

1 reference

based on heuristic

inferred from InChI

chemical formula

C₂₄H₃₂O₅

0 references

canonical SMILES

O=C1OC=2C=C(OCC3C(O)(C)CCC4C(C)(C)C(O)CCC34C)C=CC2C=C1

0 references

isomeric SMILES

CC1(C)[C@@H](O)CC[C@]2(C)[C@@H]1CC[C@@](C)(O)[C@@H]2COc1ccc2ccc(=O)oc2c1

0 references

found in taxon

Ferula kokanica

1 reference

stated in

Terpenoid coumarins ofFerula kokanica

Ferula sinkiangensis

1 reference

stated in

Sesquiterpene Coumarins from Ferula sinkiangensis Act as Neuroinflammation Inhibitors

Identifiers

InChI

InChI=1S/C24H32O5/c1-22(2)18-9-12-24(4,27)19(23(18,3)11-10-20(22)25)14-28-16-7-5-15-6-8-21(26)29-17(15)13-16/h5-8,13,18-20,25,27H,9-12,14H2,1-4H3/t18-,19-,20+,23-,24-/m1/s1

0 references

InChIKey

WNANPKYNOALKIV-RAUDTWRRSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

WNANPKYNOALKIV-RAUDTWRRSA-N

1 reference

(Q104395307)

Deacetylkellerin

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