(Q105147527)

English

fucicoccin

group of stereoisomers with the chemical formula C₃₆H₅₆O₁₂

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instance of

group of stereoisomers

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subclass of

fusicoccane diterpenoid

1 reference

inferred from

fusicoccane diterpenoid

mass

680.3771772319999 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₆H₅₆O₁₂

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canonical SMILES

O=C(OCC(C1=C2C(OC3OC(COC(C=C)(C)C)C(O)C(OC(=O)C)C3O)C(O)C(C)C4C(=CC2(C)C(O)C1)C(COC)CC4)C)C

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isomeric SMILES

C=CC(C)(C)OCC1OC(OC2C3=C(C(C)COC(C)=O)CC(O)C3(C)/C=C3/C(COC)CCC3C(C)C2O)C(O)C(OC(C)=O)C1O

1 reference

based on heuristic

inferred from InChI

Identifiers

InChI

InChI=1S/C36H56O12/c1-10-35(6,7)45-17-26-30(41)33(46-21(5)38)31(42)34(47-26)48-32-28-24(18(2)15-44-20(4)37)13-27(39)36(28,8)14-25-22(16-43-9)11-12-23(25)19(3)29(32)40/h10,14,18-19,22-23,26-27,29-34,39-42H,1,11-13,15-17H2,2-9H3/b25-14-

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InChIKey

KXTYBXCEQOANSX-QFEZKATASA-N

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2 references

26 December 2021

matched by identifier from

InChIKey

KXTYBXCEQOANSX-QFEZKATASA-N

1 reference

0 references

(Q105147527)

fucicoccin

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