Summary

IMPPAT Phytochemical identifier: IMPHY004466

Phytochemical name: alpha-Teresantalic acid

Synonymous chemical names:
teresantalic acid

External chemical identifiers:
CID:5321816

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Chemical structure information

SMILES:
OC(=O)C1(C)C2CC3C1(C)C3C2

InChI:
InChI=1S/C10H14O2/c1-9(8(11)12)5-3-6-7(4-5)10(6,9)2/h5-7H,3-4H2,1-2H3,(H,11,12)

InChIKey:
QHDPITNBVDSMQH-UHFFFAOYSA-N

DeepSMILES:
OC=O)CC)CCCC5C)C3C6

Functional groups:
CC(=O)O

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1C2CC3C1C3C2

Scaffold Graph/Node level:
C1C2CC3C1C3C2

Scaffold Graph level:
C1C2CC3C1C3C2

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Lipids and lipid-like molecules

ClassyFire Class: Prenol lipids

ClassyFire Subclass: Monoterpenoids

NP Classifier Biosynthetic pathway: Terpenoids

NP Classifier Superclass: Sesquiterpenoids

NP Classifier Class: Santalane sesquiterpenoids

NP-Likeness score: 2.347

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Chemical structure download