Secondary metabolite: Cyathusal A



Cyathusal A
Summary
Molecular formula: C17H14O7
SMILES: C/C=C/c1cc2OCc3c(c2c(=O)o1)c(O)c(c(c3C=O)OC)O
InChI: InChI=1S/C17H14O7/c1-3-4-8-5-11-13(17(21)24-8)12-10(7-23-11)9(6-18)16(22-2)15(20)14(12)19/h3-6,19-20H,7H2,1-2H3/b4-3+
InChIKey: SHZXMBWJQUATLH-ONEGZZNKSA-N
Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=c1occc2c1-c1ccccc1CO2

Scaffold Graph/Node level:
OC1OCCC2OCC3CCCCC3C12

Scaffold Graph level:
CC1CCCC2CCC3CCCCC3C12
Chemical classification
Kingdom: Organic compounds
Super class: Organoheterocyclic compounds
Class: Benzopyrans
Sub class: 2-benzopyrans
Synonymous chemical names:
cyathusal a
External chemical identifiers:
CID_16737098; CAS_943632-90-4; NPATLAS_NPA005677; CHEMSPIDER_20568539; ZINC_ZINC000028652532
Chemical structure download

Designed by R.P. Vivek-Ananth, M Karthikeyan and Ajaya Kumar Sahoo