input word = C00045070

Metabolite InformationStructural formula
Name Secoorthosiphol B
Formula C30H38O10
Mw 558.24649744
CAS RN 426822-85-7
C_ID C00045070 ,
InChIKey ZNOSNEAHXFOXRY-GUMPPACDNA-N
InChICode InChI=1S/C30H38O10/c1-8-28(5)15-19(40-24(34)18-12-10-9-11-13-18)23-29(6,16-22(32)33)20(27(3,4)26(36)38-7)14-21(39-17(2)31)30(23,37)25(28)35/h8-13,19-21,23,37H,1,14-16H2,2-7H3,(H,32,33)/t19-,20+,21-,23-,28+,29+,30+/m1/s1
SMILES [C@]1(C[C@H]([C@H]2[C@](C1=O)([C@@H](C[C@H]([C@@]2(CC(=O)O)C)C(C(=O)OC)(C)C)OC(=O)C)O)OC(=O)c1ccccc1)(C=C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLabiataeOrthosiphon stamineus Ref.
zoom in