Summary

IMPPAT Phytochemical identifier: IMPHY002556

Phytochemical name: Des-o-methyllasiodiplodin

Synonymous chemical names:
des-o-methyllasiodiplodin

External chemical identifiers:
CID:14562695, ZINC:ZINC000034319583

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Chemical structure information

SMILES:
C[C@H]1CCCCCCCc2c(C(=O)O1)c(O)cc(c2)O

InChI:
InChI=1S/C16H22O4/c1-11-7-5-3-2-4-6-8-12-9-13(17)10-14(18)15(12)16(19)20-11/h9-11,17-18H,2-8H2,1H3/t11-/m0/s1

InChIKey:
NFEVFCAOVZCHBN-NSHDSACASA-N

DeepSMILES:
C[C@H]CCCCCCCccC=O)O%12))cO)ccc6)O

Functional groups:
cC(=O)OC, cO

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C1OCCCCCCCCc2ccccc21

Scaffold Graph/Node level:
OC1OCCCCCCCCC2CCCCC21

Scaffold Graph level:
CC1CCCCCCCCCC2CCCCC12

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Phenylpropanoids and polyketides

ClassyFire Class: Macrolides and analogues

NP Classifier Biosynthetic pathway: Polyketides

NP Classifier Superclass: Macrolides

NP Classifier Class: Zearalenones

NP-Likeness score: 1.485

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Chemical structure download