(Q105166628)

English

(1R,6R,13R)-13-hydroxy-16,17-dimethoxy-6-[3-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyprop-1-en-2-yl]-2,7,20-trioxapentacyclo[11.8.0.03,11.04,8.014,19]henicosa-3(11),4(8),9,14,16,18-hexaen-12-one

chemical compound

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instance of

type of chemical entity

0 references

1 reference

588.184291084 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

(1S,6S,13S)-13-hydroxy-16,17-dimethoxy-6-[3-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyprop-1-en-2-yl]-2,7,20-trioxapentacyclo[11.8.0.03,11.04,8.014,19]henicosa-3(11),4(8),9,14,16,18-hexaen-12-one

1 reference

based on heuristic

inferred from InChI

chemical formula

C₂₉H₃₂O₁₃

0 references

canonical SMILES

O=C1C2=CC=C3OC(C(=C)COC4OC(CO)C(O)C(O)C4O)CC3=C2OC5COC6=CC(OC)=C(OC)C=C6C15O

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isomeric SMILES

C=C(CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)[C@H]1Cc2c(ccc3c2O[C@@H]2COc4cc(OC)c(OC)cc4[C@]2(O)C3=O)O1

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found in taxon

Dalbergia monetaria

1 reference

stated in

Isoflavanoid constituents from Dalbergia monetaria

Dalbergia nitidula

1 reference

stated in

Synthesis of the pyranoisoflavonoid, heminitidulan. Isoflavanoid and rotenoid glycosides from the bark of Dalbergia nitidula Welw. ex Bak.

Dalbergia ovalis

1 reference

stated in

Isoflavanoid constituents from Dalbergia monetaria

Identifiers

InChI

InChI=1S/C29H32O13/c1-12(10-39-28-25(33)24(32)23(31)21(9-30)41-28)17-6-14-16(40-17)5-4-13-26(14)42-22-11-38-18-8-20(37-3)19(36-2)7-15(18)29(22,35)27(13)34/h4-5,7-8,17,21-25,28,30-33,35H,1,6,9-11H2,2-3H3/t17-,21-,22-,23-,24+,25-,28-,29-/m1/s1

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InChIKey

MLGRWAZPBZFAGL-ZHVRRYISSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

MLGRWAZPBZFAGL-ZHVRRYISSA-N

1 reference

(Q105166628)

(1R,6R,13R)-13-hydroxy-16,17-dimethoxy-6-[3-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyprop-1-en-2-yl]-2,7,20-trioxapentacyclo[11.8.0.03,11.04,8.014,19]henicosa-3(11),4(8),9,14,16,18-hexaen-12-one

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