(Q104964695)

English

(2R,3R,5S,6R)-2-[[(2R,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]-3,5-dihydroxy-6-[[(12R)-4-hydroxy-2-oxatricyclo[13.2.2.13,7]icosa-1(17),3,5,7(20),15,18-hexaen-12-yl]oxy]oxan-4-one

chemical compound

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instance of

type of chemical entity

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subclass of

2-[[3,4-Dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]-3,5-dihydroxy-6-[(4-hydroxy-2-oxatricyclo[13.2.2.13,7]icosa-1(17),3,5,7(20),15,18-hexaen-12-yl)oxy]oxan-4-one

1 reference

based on heuristic

inferred from SMILES

mass

590.236326656 dalton

1 reference

1 reference

C₃₀H₃₈O₁₂

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canonical SMILES

O=C1C(O)C(OC2CCC3=CC=C(OC4=CC(=CC=C4O)CCCC2)C=C3)OC(COC5OCC(O)(CO)C5O)C1O

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isomeric SMILES

O=C1[C@@H](O)[C@H](O[C@@H]2CCCCc3ccc(O)c(c3)Oc3ccc(cc3)CC2)O[C@H](CO[C@@H]2OC[C@](O)(CO)[C@H]2O)[C@H]1O

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found in taxon

Acer nikoense

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stated in

Structures of new cyclic diarylheptanoids and inhibitors of nitric oxide production from Japanese folk medicine Acer nikoense

Parthenocissus tricuspidata

1 reference

stated in

Structures of new cyclic diarylheptanoids and inhibitors of nitric oxide production from Japanese folk medicine Acer nikoense

Identifiers

InChI

InChI=1S/C30H38O12/c31-15-30(37)16-39-29(27(30)36)38-14-23-24(33)25(34)26(35)28(42-23)41-19-4-2-1-3-18-8-12-21(32)22(13-18)40-20-10-6-17(5-9-19)7-11-20/h6-8,10-13,19,23-24,26-29,31-33,35-37H,1-5,9,14-16H2/t19-,23-,24-,26-,27+,28-,29-,30-/m1/s1

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InChIKey

CMJPNYIQFRFOER-DQPVMNSNSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

CMJPNYIQFRFOER-DQPVMNSNSA-N

1 reference

(Q104964695)

(2R,3R,5S,6R)-2-[[(2R,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]-3,5-dihydroxy-6-[[(12R)-4-hydroxy-2-oxatricyclo[13.2.2.13,7]icosa-1(17),3,5,7(20),15,18-hexaen-12-yl]oxy]oxan-4-one

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