Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID004623

Phytochemical name: Desacetylovatifolin

Synonymous chemical names:
desacetylovatifolin

External chemical identifiers:
CID:CID_177501787

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Chemical structure information

SMILES:
OC/C/1=C\CCC(=C[C@@H]2[C@@H]([C@@H](C1)O)C(=C)C(=O)O2)C

InChI:
InChI=1S/C15H20O4/c1-9-4-3-5-11(8-16)7-12(17)14-10(2)15(18)19-13(14)6-9/h5-6,12-14,16-17H,2-4,7-8H2,1H3/b9-6?,11-5-/t12-,13-,14-/m1/s1

InChIKey:
IAYQFYAFBVYKJZ-SNGAJYAJSA-N

DeepSMILES:
OC/C=C\CCC=C[C@@H][C@@H][C@@H]C\%10)O))C=C)C=O)O5))))))C

Functional groups:
CO, C/C=C(\C)C, CC(C)=CC, C=C1CCOC1=O

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C=C1C(=O)OC2C=CCCC=CCCC12

Scaffold Graph/Node level:
CC1C(O)OC2CCCCCCCCC21

Scaffold Graph level:
CC1CC2CCCCCCCCC2C1C

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Chemical classification

NP Classifier Biosynthetic pathway: Terpenoids

NP Classifier Superclass: Sesquiterpenoids

NP Classifier Class: Germacrane sesquiterpenoids

NP-Likeness score: 3.303

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Chemical structure download