neophaseate

Chemical Formula:

C₁₅H₁₉O₅

Molecular Weight:

279.312 Daltons

Monoisotopic Mass:

280.1310737525 Daltons

SMILES:

CC(=CC([O-])=O)C=CC2(O)(C1(OCC(C)(CC(=O)C1)2)(C))

InChI:

1S/C15H20O5/c1-10(6-12(17)18)4-5-15(19)13(2)7-11(16)8-14(15,3)20-9-13/h4-6,19H,7-9H2,1-3H3,(H,17,18)/p-1/b5-4+,10-6-/t13-,14-,15-/m0/s1

InChIKey:

IZGYIFFQBZWOLJ-WANURDJWSA-M

Synonyms

Databases

MetaCyc: CPD-7729

PubChem (CID): 91820491 52921581

MetaNetX: MNXM64401