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Penitrem B

PropertiesImageOccurences in reactions
MNX_IDMNXM1100368Image of MNXM1100368
#reac
in my sandbox 0
in MNXref (generic)0
in models (compartimentalized) 0
formulaC37H45NO5
charge0
mass583.32977
referencechebi:138831
InChIKeyCRPJNVUYZRFGAK-WKAGVDCZSA-N
InChIInChI=1S/C37H45NO5/c1-16(2)29-28(39)32-37(43-32)23(41-29)11-12-34(6)35(7)20(10-13-36(34,37)40)30-27-26-22(38-31(27)35)9-8-18-14-17(3)19-15-21(25(19)24(18)26)33(4,5)42-30/h8-9,19-21,23,25,28-30,32,38-40H,1,3,10-15H2,2,4-7H3/t19-,20+,21+,23+,25+,28+,29-,30+,32-,34-,35-,36+,37+/m1/s1
SMILESC=C1Cc2ccc3[nH]c4c5c3c2[C@H]2[C@@H]1C[C@@H]2C(C)(C)O[C@H]5[C@@H]1CC[C@@]2(O)[C@@]35O[C@@H]3[C@@H](O)[C@@H](C(=C)C)O[C@H]5CC[C@]2(C)[C@@]41C
Parent-child relations graph
Deprecated MNXref IDs graph
Similar chemical compounds in external resources
IdentifierDescription
seed.compound:cpd31306
seedM:cpd31306
CHEBI:138831
chebi:138831
kegg.compound:C20731
keggC:C20731
Penitrem B
keggC:M_C20731
seedM:M_cpd31306
secondary/obsolete/fantasy identifier