input word = C00043368

Metabolite InformationStructural formula
Name Certonardosterol B2
Formula C28H48O5
Mw 464.35017464
CAS RN 681240-63-1
C_ID C00043368 ,
InChIKey KCGCBQKWOISAIN-NDBLTZRQNA-N
InChICode InChI=1S/C28H48O5/c1-15(17(3)14-29)6-7-16(2)20-13-23(32)24-18-12-22(31)25-26(33)21(30)9-11-27(25,4)19(18)8-10-28(20,24)5/h6-7,15-26,29-33H,8-14H2,1-5H3/b7-6+/t15-,16+,17-,18-,19+,20-,21+,22+,23-,24-,25+,26+,27-,28-/m1/s1
SMILES C[C@H](/C=C/[C@@H](C)[C@H]1C[C@@H](O)[C@H]2[C@@H]3C[C@H](O)[C@H]4[C@@H](O)[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C)[C@H](C)CO
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
--Certonardoa semiregularis Ref.
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