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=C[C@@]1(C)C[C@@H](OC(=O)c2ccccc2)[C@@H]2[C@@](C)(CC(=O)O)[C@H](C(C)(C)C(=O)OC)C[C@@H](OC(C)=O)[C@@]2(O)C1=O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLabiataeOrthosiphon stamineus Ref.
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