(Q105284361)

English

(3S,4S,4aS,5aR)-3-{[(2S,3R,4S,5R,6R)-3,5-dihydroxy-6-(hydroxymethyl)-4-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-4-ethenyl-7-hydroxy-8-methoxy-4,4a,5,5a,10,11-hexahydro-3H-2-oxa-12-azatetraphen-13-one

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

15-[3,5-Dihydroxy-6-(hydroxymethyl)-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-16-ethenyl-4-hydroxy-5-methoxy-14-oxa-10-azatetracyclo[8.8.0.02,7.012,17]octadeca-2,4,6,12-tetraen-11-one

1 reference

based on heuristic

inferred from SMILES

mass

667.247619612 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

3'-O-beta-D-Glucopyranosylalangiside

1 reference

based on heuristic

inferred from InChI

chemical formula

C₃₁H₄₁NO₁₅

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canonical SMILES

O=C1C2=COC(OC3OC(CO)C(O)C(OC4OC(CO)C(O)C(O)C4O)C3O)C(C=C)C2CC5C6=CC(O)=C(OC)C=C6CCN15

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isomeric SMILES

C=C[C@@H]1[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@H]2O)OC=C2C(=O)N3CCc4cc(OC)c(O)cc4[C@H]3C[C@H]21

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found in taxon

Alangium lamarckii

1 reference

stated in

Isolation of Two Unusual Tetrahydroisoquinoline-Monoterpene Glucosides from Alangium lamarckii as Possible Intermediates in the Non-enzymatic Formation of Alangimarine from Alangiside

Alangium salviifolium

1 reference

stated in

Isolation of Two Unusual Tetrahydroisoquinoline-Monoterpene Glucosides from Alangium lamarckii as Possible Intermediates in the Non-enzymatic Formation of Alangimarine from Alangiside

Identifiers

InChI

InChI=1S/C31H41NO15/c1-3-13-15-7-17-14-8-18(35)19(42-2)6-12(14)4-5-32(17)28(41)16(15)11-43-29(13)47-31-26(40)27(23(37)21(10-34)45-31)46-30-25(39)24(38)22(36)20(9-33)44-30/h3,6,8,11,13,15,17,20-27,29-31,33-40H,1,4-5,7,9-10H2,2H3/t13-,15-,17+,20+,21+,22+,23+,24-,25+,26+,27-,29-,30-,31-/m0/s1

0 references

InChIKey

VDSSUYMBXUNXGS-GKFCDTIHSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

VDSSUYMBXUNXGS-GKFCDTIHSA-N

(Q105284361)

(3S,4S,4aS,5aR)-3-{[(2S,3R,4S,5R,6R)-3,5-dihydroxy-6-(hydroxymethyl)-4-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-4-ethenyl-7-hydroxy-8-methoxy-4,4a,5,5a,10,11-hexahydro-3H-2-oxa-12-azatetraphen-13-one

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