input word = C00038572

Metabolite InformationStructural formula
Name Baconipyrone B
Formula C28H42O8
Mw 506.28796832
CAS RN 123003-46-3
C_ID C00038572 ,
InChIKey JNKMSCYJWSFNIT-VPZMOTCYNA-N
InChICode InChI=1S/C28H42O8/c1-11-28(34)18(8)24(32)16(6)26(19(28)9)36-27(33)17(7)23(31)13(3)22(30)15(5)25-14(4)21(29)12(2)20(10)35-25/h13,15-19,23,26,31,34H,11H2,1-10H3/t13-,15-,16+,17-,18+,19-,23-,26-,28+/m0/s1
SMILES CC[C@@]1(O)[C@H](C)C(=O)[C@@H](C)[C@H](OC(=O)[C@@H](C)[C@@H](O)[C@@H](C)C(=O)[C@H](C)c2oc(C)c(C)c(=O)c2C)[C@@H]1C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
AnimaliaSiphonariidaeSiphonaria baconi Ref.
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