input word = C00044493

Metabolite InformationStructural formula
Name Acinospesigenin A
Formula C32H50O6
Mw 530.36073933
CAS RN 597580-22-8
C_ID C00044493 ,
InChIKey JJFCAFYUQNMBBV-QJEPLTIENA-N
InChICode InChI=1S/C32H50O6/c1-19(34)38-24-10-12-29(5)22(31(24,7)18-33)8-11-28(4)21-9-13-32(26(36)37)15-14-27(2,3)17-23(32)30(21,6)16-20(35)25(28)29/h9,20,22-25,33,35H,8,10-18H2,1-7H3,(H,36,37)/t20-,22-,23+,24+,25+,28+,29+,30-,31+,32-/m1/s1
SMILES C1(CC[C@]2([C@@H](C1)[C@]1(C(=CC2)[C@]2([C@H]([C@@H](C1)O)[C@@]1([C@@H](CC2)[C@@]([C@H](CC1)OC(=O)C)(CO)C)C)C)C)C(=O)O)(C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaePhytolaccaceaePhytolacca acinosa Ref.
zoom in