(Q105298414)

English

(6aR,12aS)-12a-hydroxy-9-[(2E,5E)-7-hydroxy-3,7-dimethylocta-2,5-dienoxy]-2,3-dimethoxy-6,6a-dihydrochromeno[3,4-b]chromen-12-one

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

12a-hydroxy-9-{[(2E,5E)-7-hydroxy-3,7-dimethylocta-2,5-dien-1-yl]oxy}-2,3-dimethoxy-6,6a-dihydro-5,7-dioxatetraphen-12-one

1 reference

based on heuristic

inferred from SMILES

12a-Hydroxy-9-(7-hydroxy-3,7-dimethylocta-2,5-dienoxy)-2,3-dimethoxy-6,6a-dihydrochromeno[3,4-b]chromen-12-one

1 reference

based on heuristic

inferred from SMILES

mass

496.209717984 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

(6aS,12aR)-12a-hydroxy-9-[(2E,5E)-7-hydroxy-3,7-dimethylocta-2,5-dienoxy]-2,3-dimethoxy-6,6a-dihydrochromeno[3,4-b]chromen-12-one

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

(6aS,12aS)-12a-hydroxy-9-[(2E,5E)-7-hydroxy-3,7-dimethylocta-2,5-dienoxy]-2,3-dimethoxy-6,6a-dihydrochromeno[3,4-b]chromen-12-one

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

chemical formula

C₂₈H₃₂O₈

0 references

canonical SMILES

O=C1C2=CC=C(OCC=C(C)CC=CC(O)(C)C)C=C2OC3COC4=CC(OC)=C(OC)C=C4C13O

0 references

isomeric SMILES

COc1cc2c(cc1OC)[C@@]1(O)C(=O)c3ccc(OC/C=C(\C)C/C=C/C(C)(C)O)cc3O[C@@H]1CO2

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found in taxon

Millettia griffoniana

2 references

stated in

Further isoflavonoid metabolites from Millettia griffoniana (Bail).

stated in

Further isoflavonoid metabolites from Millettia griffoniana (Bail).

Identifiers

InChI

InChI=1S/C28H32O8/c1-17(7-6-11-27(2,3)30)10-12-34-18-8-9-19-21(13-18)36-25-16-35-22-15-24(33-5)23(32-4)14-20(22)28(25,31)26(19)29/h6,8-11,13-15,25,30-31H,7,12,16H2,1-5H3/b11-6+,17-10+/t25-,28+/m1/s1

0 references

InChIKey

VXBXQMZYISYYKS-XCVVJBLJSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

VXBXQMZYISYYKS-XCVVJBLJSA-N

1 reference

(Q105298414)

(6aR,12aS)-12a-hydroxy-9-[(2E,5E)-7-hydroxy-3,7-dimethylocta-2,5-dienoxy]-2,3-dimethoxy-6,6a-dihydrochromeno[3,4-b]chromen-12-one

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Identifiers

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