Search MNXref
SystemsX.ch
The Swiss Initiative in Systems Biology
 Feedback

7,8-dehydrocerberin

PropertiesImageOccurences in reactions
MNX_IDMNXM102136Image of MNXM102136
#reac
in my sandbox 0
in MNXref (generic)0
in models (compartimentalized) 0
formulaC32H46O9
charge0
mass574.31418
referencechebi:65734
InChIKeyMJWBKZJOFFGTCD-ZSCKLWMASA-N
InChIInChI=1S/C32H46O9/c1-17-26(35)27(37-5)28(40-18(2)33)29(39-17)41-21-8-11-30(3)20(15-21)6-7-24-23(30)9-12-31(4)22(10-13-32(24,31)36)19-14-25(34)38-16-19/h7,14,17,20-23,26-29,35-36H,6,8-13,15-16H2,1-5H3/t17-,20+,21-,22+,23-,26-,27+,28-,29-,30-,31+,32-/m0/s1
SMILESCO[C@@H]1[C@@H](O)[C@H](C)O[C@@H](O[C@H]2CC[C@@]3(C)[C@H](CC=C4[C@@H]3CC[C@]3(C)[C@@H](C5=CC(=O)OC5)CC[C@]43O)C2)[C@H]1OC(C)=O
Parent-child relations graph
 Deprecated MNXref IDs graph
Similar chemical compounds in external resources
IdentifierDescription
CHEBI:65734
chebi:65734 		7,8-dehydrocerberin
(3beta,5beta)-3-[(2-O-acetyl-6-deoxy-3-O-methyl-alpha-L-glucopyranosyl)oxy]-14-hydroxycarda-7,20(22)-dienolide
3beta-O-(2'-O-acetyl-alpha-L-thevetosyl)-14beta-hydroxy-7-en-5beta-card-20(22)-enolide