input word = C00044231

Metabolite InformationStructural formula
Name Mellerin A
(+)-Mellerin A
Formula C28H42O6
Mw 474.29813907
CAS RN 213037-33-3
C_ID C00044231 ,
InChIKey VJTBJVHQCFQKLQ-XYSHQLBDNA-N
InChICode InChI=1S/C28H42O6/c1-6-7-8-9-10-11-22(30)34-27-14-18(3)28(33)20(23(27)25(27,4)5)13-19(16-29)15-26(32)21(28)12-17(2)24(26)31/h12-13,18,20-21,23,29,32-33H,6-11,14-16H2,1-5H3/t18-,20+,21-,23-,26-,27+,28-/m1/s1
SMILES C1(=C[C@@H]2[C@@](C1=O)(CC(=C[C@@H]1[C@]2(O)[C@@H](C[C@@]2([C@H]1C2(C)C)OC(=O)CCCCCCC)C)CO)O)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeEuphorbiaceaeNeoboutonia melleri Ref.
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OrganismNeoboutonia melleri
ReferenceZhao,Phytochem.,48,(1998),1173