(Q105189186)

English

2-{[4,5-dihydroxy-2-(hydroxymethyl)-6-{5,7',9',13'-tetramethyl-5'-oxaspiro[oxane-2,6'-pentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icosan]-18'-eneoxy}oxan-3-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol

group of stereoisomers with the chemical formula C₃₉H₆₂O₁₃

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instance of

group of stereoisomers

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1 reference

738.9033 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₉H₆₂O₁₃

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canonical SMILES

OCC1OC(OC2C(O)C(O)C(OC3CC4=CCC5C(CCC6(C)C5CC7OC8(OCC(C)CC8)C(C)C76)C4(C)CC3)OC2CO)C(O)C(O)C1O

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Identifiers

InChI

InChI=1S/C39H62O13/c1-18-7-12-39(47-17-18)19(2)28-25(52-39)14-24-22-6-5-20-13-21(8-10-37(20,3)23(22)9-11-38(24,28)4)48-35-33(46)31(44)34(27(16-41)50-35)51-36-32(45)30(43)29(42)26(15-40)49-36/h5,18-19,21-36,40-46H,6-17H2,1-4H3

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InChIKey

OBVNUYXMOLOYPW-UHFFFAOYSA-N

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PubChem CID

14408728

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

OBVNUYXMOLOYPW-UHFFFAOYSA-N

Human Metabolome Database ID

HMDB0303387

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

OBVNUYXMOLOYPW-UHFFFAOYSA-N

(Q105189186)

2-{[4,5-dihydroxy-2-(hydroxymethyl)-6-{5,7',9',13'-tetramethyl-5'-oxaspiro[oxane-2,6'-pentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icosan]-18'-eneoxy}oxan-3-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol

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