Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID001861

Phytochemical name: Mycorradicin

Synonymous chemical names:
mycorradicin

External chemical identifiers:
CID:CID_6444309

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Chemical structure information

SMILES:
C/C(=C\C=C\C=C(\C=C\C(=O)O)/C)/C=C/C(=O)O

InChI:
InChI=1S/C14H16O4/c1-11(7-9-13(15)16)5-3-4-6-12(2)8-10-14(17)18/h3-10H,1-2H3,(H,15,16)(H,17,18)/b4-3+,9-7+,10-8+,11-5+,12-6+

InChIKey:
UXBCAWHJMZPSBQ-HBPHNZTASA-N

DeepSMILES:
C/C=C\C=C\C=C\C=C\C=O)O))))/C))))))/C=C/C=O)O

Functional groups:
CC(/C=C/C(=O)O)=C\C=C\C=C(C)\C=C\C(=O)O

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Lipids and lipid-like molecules

ClassyFire Class: Fatty acyls

ClassyFire Subclass: Fatty acids and conjugates

NP Classifier Biosynthetic pathway: Terpenoids

NP Classifier Superclass: Apocarotenoids

NP Classifier Class: Miscellaneous apocarotenoids

NP-Likeness score: 1.163

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Chemical structure download