(Q105226288)

English

(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[(3S,5Z)-6-[(2R,5S)-5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-3-methylhexa-1,5-dien-3-yl]oxyoxane-3,4,5-triol

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

2-(Hydroxymethyl)-6-[6-[5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-3-methylhexa-1,5-dien-3-yl]oxyoxane-3,4,5-triol

1 reference

based on heuristic

inferred from SMILES

mass

416.241018112 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₁H₃₆O₈

0 references

canonical SMILES

OCC1OC(OC(C=C)(C)CC=CC2(OC(CC2)C(O)(C)C)C)C(O)C(O)C1O

0 references

isomeric SMILES

C=C[C@](C)(C/C=C\[C@@]1(C)CC[C@@H](C(C)(C)O)O1)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O

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found in taxon

Breynia fruticosa

1 reference

stated in

Glycosides from Breynia fruticosa and Breynia rostrata

Identifiers

InChI

InChI=1S/C21H36O8/c1-6-20(4,29-18-17(25)16(24)15(23)13(12-22)27-18)9-7-10-21(5)11-8-14(28-21)19(2,3)26/h6-7,10,13-18,22-26H,1,8-9,11-12H2,2-5H3/b10-7-/t13-,14+,15-,16+,17-,18+,20-,21+/m1/s1

0 references

InChIKey

QRGRNEUSNHIAOU-SOHRVHQUSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

QRGRNEUSNHIAOU-SOHRVHQUSA-N

(Q105226288)

(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[(3S,5Z)-6-[(2R,5S)-5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-3-methylhexa-1,5-dien-3-yl]oxyoxane-3,4,5-triol

Statements

Identifiers

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