input word = C00039379

Metabolite InformationStructural formula
Name Holstinone B
Protoxylocarpin D
Formula C31H48O6
Mw 516.34508926
CAS RN 247046-15-7
C_ID C00039379 ,
InChIKey XCCPYESNSWQOFT-YULMEAGFNA-N
InChICode InChI=1S/C31H48O6/c1-27(2)22-16-24(33)31(7)20-10-9-18(17-15-19(37-26(17)36-8)25(34)28(3,4)35)29(20,5)13-11-21(31)30(22,6)14-12-23(27)32/h10,12,14,17-19,21-22,24-26,33-35H,9,11,13,15-16H2,1-8H3/t17-,18-,19+,21+,22-,24+,25+,26-,29-,30+,31-/m0/s1
SMILES C1=C[C@]2([C@H](C(C1=O)(C)C)C[C@H]([C@@]1([C@@H]2CC[C@@]2(C1=CC[C@H]2[C@H]1[C@H](O[C@H](C1)[C@@H](O)C(O)(C)C)OC)C)C)O)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeMeliaceaeTurraea holstii Ref.
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OrganismTurraea holstii
ReferenceMulholland,Phytochem.,52,(1999),123