(Q105130882)

English

(2R,3R,4S,5S,6R)-2-[(3R)-1,7-bis(4-hydroxyphenyl)heptan-3-yl]oxy-6-[[(2R,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]oxane-3,4,5-triol

chemical compound

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instance of

type of chemical entity

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subclass of

2-[1,7-Bis(4-hydroxyphenyl)heptan-3-yloxy]-6-[[3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]oxane-3,4,5-triol

1 reference

based on heuristic

inferred from SMILES

mass

594.267626784 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

(2R,3R,4R,5R,6R)-2-[(3R)-1,7-bis(4-hydroxyphenyl)heptan-3-yl]oxy-6-[[(2R,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]oxane-3,4,5-triol

1 reference

based on heuristic

inferred from InChI

(2R,3R,4S,5S,6R)-2-[(3S)-1,7-bis(4-hydroxyphenyl)heptan-3-yl]oxy-6-[[(2R,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]oxane-3,4,5-triol

1 reference

1 reference

C₃₀H₄₂O₁₂

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canonical SMILES

OC1=CC=C(C=C1)CCCCC(OC2OC(COC3OCC(O)(CO)C3O)C(O)C(O)C2O)CCC4=CC=C(O)C=C4

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isomeric SMILES

OC[C@@]1(O)CO[C@@H](OC[C@H]2O[C@@H](O[C@H](CCCCc3ccc(O)cc3)CCc3ccc(O)cc3)[C@H](O)[C@@H](O)[C@@H]2O)[C@@H]1O

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found in taxon

Alnus firma

2 references

stated in

Antifibrotic constituents of Alnus firma on hepatic stellate cells

stated in

Antifibrotic constituents of Alnus firma on hepatic stellate cells

Acer nikoense

2 references

stated in

Medicinal foodstuffs. XXXI. Structures of new aromatic constituents and inhibitors of degranulation in RBL-2H3 cells from a Japanese folk medicine, the stem bark of Acer nikoense.

stated in

Studies on the constituents of aceraceae plants. VI. Revised stereochemistry of (-)-centrolobol, and new glycosides from Acer nikoense.

Betula platyphylla

2 references

stated in

Chemical Evaluation of Betula Species in Japan. II. Constituents of Betula platyphylla var. japonica.

stated in

Hepatoprotective, superoxide scavenging, and antioxidative activities of aromatic constituents from the bark of Betula platyphylla var. japonica

Parthenocissus tricuspidata

2 references

stated in

Medicinal foodstuffs. XXXI. Structures of new aromatic constituents and inhibitors of degranulation in RBL-2H3 cells from a Japanese folk medicine, the stem bark of Acer nikoense.

stated in

Studies on the constituents of aceraceae plants. VI. Revised stereochemistry of (-)-centrolobol, and new glycosides from Acer nikoense.

Acer maximowiczianum

2 references

stated in

Medicinal foodstuffs. XXXI. Structures of new aromatic constituents and inhibitors of degranulation in RBL-2H3 cells from a Japanese folk medicine, the stem bark of Acer nikoense.

stated in

Studies on the constituents of aceraceae plants. VI. Revised stereochemistry of (-)-centrolobol, and new glycosides from Acer nikoense.

Identifiers

InChI

InChI=1S/C30H42O12/c31-16-30(38)17-40-29(27(30)37)39-15-23-24(34)25(35)26(36)28(42-23)41-22(14-9-19-7-12-21(33)13-8-19)4-2-1-3-18-5-10-20(32)11-6-18/h5-8,10-13,22-29,31-38H,1-4,9,14-17H2/t22-,23-,24-,25+,26-,27+,28-,29-,30-/m1/s1

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InChIKey

JLMGCBFIPZDHLZ-GYOMMSMMSA-N

0 references

1 reference

17 September 2022

inferred from InChIKey

ChEBI ID

184017

mapping relation type

exact match

1 reference

stated in

ChEBI release 2022-06-13

1 reference

(Q105130882)

(2R,3R,4S,5S,6R)-2-[(3R)-1,7-bis(4-hydroxyphenyl)heptan-3-yl]oxy-6-[[(2R,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]oxane-3,4,5-triol

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Identifiers

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