picrocrocin

Chemical Formula:

C₁₆H₂₆O₇

Molecular Weight:

330.377 Daltons

Monoisotopic Mass:

330.1678531893 Daltons

SMILES:

CC2(=C(C=O)C(C)(C)CC(OC1(C(C(C(C(O1)CO)O)O)O))C2)

InChI:

1S/C16H26O7/c1-8-4-9(5-16(2,3)10(8)6-17)22-15-14(21)13(20)12(19)11(7-18)23-15/h6,9,11-15,18-21H,4-5,7H2,1-3H3/t9-,11-,12-,13+,14-,15-/m1/s1

InChIKey:

WMHJCSAICLADIN-WYWSWGBSSA-N

Databases

MetaCyc: CPD-8668

RefMet: Picrocrocin

ChemSpider: 115678

KEGG: C17055

ChEBI: 53168

PubChem (CID): 130796

Seed: cpd17315

HMDB: HMDB05796

MetaNetX: MNXM20950