dihydrobisanhydrobacterioruberin
Chemical Formula:
C50H74O2
Molecular Weight:
707.133 Daltons
Monoisotopic Mass:
706.5688816196 Daltons
SMILES:
CC(C)=CCC(C=CC(=CC=CC(=CC=CC(C)=CC=CC=C(C)C=CC=C(C)C=CC=C(C)CCC(C(C)(C)O)CC=C(C)C)C)C)C(C)(C)O
InChI:
1S/C50H74O2/c1-39(2)31-35-47(49(11,12)51)37-33-45(9)29-19-27-43(7)25-17-23-41(5)21-15-16-22-42(6)24-18-26-44(8)28-20-30-46(10)34-38-48(50(13,14)52)36-32-40(3)4/h15-33,37,47-48,51-52H,34-36,38H2,1-14H3/b16-15+,23-17+,24-18+,27-19+,28-20+,37-33+,41-21+,42-22+,43-25+,44-26+,45-29+,46-30+/t47-,48-/m0/s1
InChIKey:
Databases
MetaCyc:
CPD-18007
ChEBI:
87161
PubChem (CID):
91819926
MetaNetX:
MNXM149030
KEGG:
C22060