(Q105008740)

English

2-{[4,5-dihydroxy-6-(hydroxymethyl)-2-{5,7',9',13'-tetramethyl-5'-oxaspiro[oxane-2,6'-pentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icosan]-18'-en-16'-oloxy}oxan-3-yl]oxy}-6-methyloxane-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

738.4190420440003 dalton

1 reference

based on heuristic

inferred from InChI

chemical formula

C₃₉H₆₂O₁₃

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canonical SMILES

OCC1OC(OC2CC(O)CC3=CCC4C(CCC5(C)C4CC6OC7(OCC(C)CC7)C(C)C65)C32C)C(OC8OC(C)C(O)C(O)C8O)C(O)C1O

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Identifiers

InChI

InChI=1S/C39H62O13/c1-17-8-11-39(47-16-17)18(2)28-25(52-39)14-24-22-7-6-20-12-21(41)13-27(38(20,5)23(22)9-10-37(24,28)4)50-36-34(32(45)30(43)26(15-40)49-36)51-35-33(46)31(44)29(42)19(3)48-35/h6,17-19,21-36,40-46H,7-16H2,1-5H3

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InChIKey

GHUUTEXYFBCKSM-UHFFFAOYSA-N

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PubChem CID

3710144

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

GHUUTEXYFBCKSM-UHFFFAOYSA-N

1 reference

Human Metabolome Database ID

HMDB0303123

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

GHUUTEXYFBCKSM-UHFFFAOYSA-N

(Q105008740)

2-{[4,5-dihydroxy-6-(hydroxymethyl)-2-{5,7',9',13'-tetramethyl-5'-oxaspiro[oxane-2,6'-pentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icosan]-18'-en-16'-oloxy}oxan-3-yl]oxy}-6-methyloxane-3,4,5-triol

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