Summary

IMPPAT Phytochemical identifier: IMPHY006359

Phytochemical name: L-Rhamnono-1,4-lactone

Synonymous chemical names:
1-rhamnono-1,4-lactone

External chemical identifiers:
CID:5460219, ChEBI:17937, ZINC:ZINC000004095990, SureChEMBL:SCHEMBL290915

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Chemical structure information

SMILES:
C[C@@H]([C@@H]1OC(=O)[C@@H]([C@@H]1O)O)O

InChI:
InChI=1S/C6H10O5/c1-2(7)5-3(8)4(9)6(10)11-5/h2-5,7-9H,1H3/t2-,3-,4+,5-/m0/s1

InChIKey:
VASLEPDZAKCNJX-KLVWXMOXSA-N

DeepSMILES:
C[C@@H][C@@H]OC=O)[C@@H][C@@H]5O))O)))))O

Functional groups:
CO, COC(C)=O

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C1CCCO1

Scaffold Graph/Node level:
OC1CCCO1

Scaffold Graph level:
CC1CCCC1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organoheterocyclic compounds

ClassyFire Class: Lactones

ClassyFire Subclass: Gamma butyrolactones

NP Classifier Biosynthetic pathway: Carbohydrates, Polyketides

NP-Likeness score: 2.281

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Chemical structure download