input word = C00046654

Metabolite InformationStructural formula
Name Caruifolin B
Formula C30H40O7
Mw 512.27740363
CAS RN 314734-64-0
C_ID C00046654 ,
InChIKey IZSZKQWJVIKEFE-UHFFFAOYNA-N
InChICode InChI=1S/C30H40O7/c1-11-15-7-9-28(5,34)21-17(23(15)36-26(11)32)13(3)20-18(21)19-22(31)14(4)30(20)24(19)29(6,35)10-8-16-12(2)27(33)37-25(16)30/h11-12,14-16,18-21,23-25,34-35H,7-10H2,1-6H3/t11-,12+,14-,15-,16+,18-,19-,20-,21-,23+,24-,25-,28-,29-,30+/m0/s1
SMILES [C@H]12C(=C([C@H]3[C@@H]1[C@@H]1[C@@H]4[C@@]3([C@@H]3[C@H](CC[C@@]4(O)C)[C@H](C(=O)O3)C)[C@@H](C)C1=O)C)[C@H]1[C@@H](CC[C@]2(C)O)[C@@H](C(=O)O1)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeArtemisia caruifolia Ref.
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