Summary

Molecular formula: C15H22O2
SMILES: OC[C@@]1(C)C[C@H]2C(=C(C)C3(C(=C)[C@@H]2O)CC3)C1
InChI: InChI=1S/C15H22O2/c1-9-11-6-14(3,8-16)7-12(11)13(17)10(2)15(9)4-5-15/h12-13,16-17H,2,4-8H2,1,3H3/t12-,13-,14+/m0/s1
InChIKey: XUXXDJLUAMCRLH-MELADBBJSA-N

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C=C1CC2CCCC2=CC12CC2

Scaffold Graph/Node level:
CC1CC2CCCC2CC12CC2

Scaffold Graph level:
CC1CC2CCCC2CC12CC2

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Chemical classification

Kingdom: Organic compounds
Super class: Organic oxygen compounds
Class: Organooxygen compounds
Sub class: Alcohols and polyols

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Synonymous chemical names:
7,7a-diepicoprinastatin 1

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External chemical identifiers:
CID_49798954; ZINC_ZINC000096900508

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Chemical structure download