input word = C00042850

Metabolite InformationStructural formula
Name Phrygiasterol
(+)-Phrygiasterol
Formula C27H46O6
Mw 466.3294392
CAS RN 868860-63-3
C_ID C00042850 ,
InChIKey JTUYNKPRHAYAEY-IBYSZWOVNA-N
InChICode InChI=1S/C27H46O6/c1-14(4-5-15-10-16(15)13-28)21-22(31)23(32)24-26(21,3)9-7-20-25(2)8-6-17(29)11-18(25)19(30)12-27(20,24)33/h14-24,28-33H,4-13H2,1-3H3/t14-,15+,16+,17+,18-,19+,20-,21+,22-,23+,24-,25+,26-,27+/m1/s1
SMILES C[C@H](CCC1C[C@H]1CO)[C@H]1[C@@H](O)[C@H](O)[C@@H]2[C@]1(C)CC[C@@H]1[C@@]3(C)CC[C@H](O)C[C@@H]3[C@@H](O)C[C@]12O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
AnimaliaGoniasteridaeHippasteria phrygiana Ref.
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