monoanhydrobacterioruberin
Chemical Formula:
C50H74O3
Molecular Weight:
723.133 Daltons
Monoisotopic Mass:
722.5637962417001 Daltons
SMILES:
CC(C)=CCC(C=CC(=CC=CC(=CC=CC(C)=CC=CC=C(C)C=CC=C(C)C=CC=C(C)C=CC(C(C)(C)O)CCC(C)(C)O)C)C)C(C)(C)O
InChI:
1S/C50H74O3/c1-39(2)31-34-46(49(11,12)52)35-32-44(7)29-19-27-42(5)25-17-23-40(3)21-15-16-22-41(4)24-18-26-43(6)28-20-30-45(8)33-36-47(50(13,14)53)37-38-48(9,10)51/h15-33,35-36,46-47,51-53H,34,37-38H2,1-14H3/b16-15+,23-17+,24-18+,27-19+,28-20+,35-32+,36-33+,40-21+,41-22+,42-25+,43-26+,44-29+,45-30+/t46-,47+/m0/s1
InChIKey:
Databases
MetaCyc:
CPD-18021
ChEBI:
87122
PubChem (CID):
10985438
MetaNetX:
MNXM148357