torvanol A hydrogen sulfate (Q27157312)

CHEBI:83883 (English)

(E)-3-[4-hydroxy-3-methoxy-5-[(3S,4R)-6-methoxy-4-sulfooxy-3,4-dihydro-2H-chromen-3-yl]phenyl]prop-2-enoic acid

9 October 2016

stereoisomer of

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

chemical formula

C₂₀H₂₀O₁₀S

1 reference

CHEBI:83883 (English)

9 October 2016

canonical SMILES

COC1=CC2=C(C=C1)OCC(C2OS(=O)(=O)O)C3=C(C(=CC(=C3)C=CC(=O)O)OC)O

1 reference

CHEBI:83883 (English)

9 October 2016

isomeric SMILES

COC1=CC2=C(C=C1)OC[C@H]([C@@H]2OS(=O)(=O)O)C3=C(C(=CC(=C3)/C=C/C(=O)O)OC)O

1 reference

Antiviral isoflavonoid sulfate and steroidal glycosides from the fruits of Solanum torvum

CHEBI:83883 (English)

9 October 2016

1 reference

Identifiers

InChI

InChI=1S/C20H20O10S/c1-27-12-4-5-16-14(9-12)20(30-31(24,25)26)15(10-29-16)13-7-11(3-6-18(21)22)8-17(28-2)19(13)23/h3-9,15,20,23H,10H2,1-2H3,(H,21,22)(H,24,25,26)/b6-3+/t15-,20+/m0/s1

1 reference

CHEBI:83883 (English)

XKGLTSPFQHSIDD-HKYAKFGFSA-N

9 October 2016

InChIKey

2 references

CHEBI:83883 (English)

9 October 2016

stated in

ChEBI release 2020-09-01

1 reference

(2E)-3-{4-Hydroxy-3-methoxy-5-[(3R,4S)-6-methoxy-4-(sulfooxy)-3,4-dihydro-2H-chromen-3-yl]phenyl}acrylic acid (English)

9 October 2016

2 references

CHEBI:83883 (English)

matched by identifier from

9 October 2016

InChIKey

XKGLTSPFQHSIDD-HKYAKFGFSA-N

ChEBI ID

83883

mapping relation type

2 references

torvanol A hydrogen sulfate (English)